acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C197H250N6O10 — CID 167581778

About acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 167581778) has the molecular formula C197H250N6O10 and a molecular weight of 2862.20 g/mol. Its IUPAC name is acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 167581778
• Molecular Formula: C197H250N6O10
• Molecular Weight: 2862.20 g/mol
• Exact Mass: 2859.92
• IUPAC Name: acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: CC(=O)O.CC(=O)O.CC(C)c1ccc([C@H]2CCc3cc(O)ccc3[C@H]2c2ccc(CCNCC3CC3)cc2)cc1.CCC.CCC.CCCNCCc1ccc(C2=C(c3ccc(C(C)C)cc3)CCc3cc(OC)ccc32)cc1.CCCNCCc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccc(C(C)C)cc2)cc1.CCCNCCc1ccc([C@@H]2c3ccc(OC)cc3CC[C@@H]2c2ccc(C(C)C)cc2)cc1.COc1ccc2c(c1)CCC(c1ccc(C(C)C)cc1)=C2c1ccc(CCNCC2CC2)cc1.COc1ccc2c(c1)CC[C@H](c1ccc(C(C)C)cc1)[C@@H]2c1ccc(CCNCC2CC2)cc1
• InChI: InChI=1S/C32H39NO.C32H37NO.C31H37NO.C31H39NO.C31H37NO.C30H37NO.2C3H8.2C2H4O2/c2*1-22(2)25-10-12-26(13-11-25)30-16-14-28-20-29(34-3)15-17-31(28)32(30)27-8-6-23(7-9-27)18-19-33-21-24-4-5-24;1-21(2)24-9-11-25(12-10-24)29-15-13-27-19-28(33)14-16-30(27)31(29)26-7-5-22(6-8-26)17-18-32-20-23-3-4-23;2*1-5-19-32-20-18-23-6-8-26(9-7-23)31-29(25-12-10-24(11-13-25)22(2)3)16-14-27-21-28(33-4)15-17-30(27)31;1-4-18-31-19-17-22-5-7-25(8-6-22)30-28(24-11-9-23(10-12-24)21(2)3)15-13-26-20-27(32)14-16-29(26)30;2*1-3-2;2*1-2(3)4/h6-13,15,17,20,22,24,30,32-33H,4-5,14,16,18-19,21H2,1-3H3;6-13,15,17,20,22,24,33H,4-5,14,16,18-19,21H2,1-3H3;5-12,14,16,19,21,23,29,31-33H,3-4,13,15,17-18,20H2,1-2H3;6-13,15,17,21-22,29,31-32H,5,14,16,18-20H2,1-4H3;6-13,15,17,21-22,32H,5,14,16,18-20H2,1-4H3;5-12,14,16,20-21,28,30-32H,4,13,15,17-19H2,1-3H3;2*3H2,1-2H3;2*1H3,(H,3,4)/t30-,32+;;2*29-,31+;;28-,30+;;;;/m1.11.1..../s1
• InChIKey: BJDPAYVAPKFZGE-LOMVOLJYSA-N
• XLogP: 45.83
• TPSA: 224.16 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 52
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2862.20
LogP ≤ 5	45.83
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 167581778) is acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CC(=O)O.CC(=O)O.CC(C)c1ccc([C@H]2CCc3cc(O)ccc3[C@H]2c2ccc(CCNCC3CC3)cc2)cc1.CCC.CCC.CCCNCCc1ccc(C2=C(c3ccc(C(C)C)cc3)CCc3cc(OC)ccc32)cc1.CCCNCCc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccc(C(C)C)cc2)cc1.CCCNCCc1ccc([C@@H]2c3ccc(OC)cc3CC[C@@H]2c2ccc(C(C)C)cc2)cc1.COc1ccc2c(c1)CCC(c1ccc(C(C)C)cc1)=C2c1ccc(CCNCC2CC2)cc1.COc1ccc2c(c1)CC[C@H](c1ccc(C(C)C)cc1)[C@@H]2c1ccc(CCNCC2CC2)cc1.

What is the InChIKey of acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is BJDPAYVAPKFZGE-LOMVOLJYSA-N. The full InChI is InChI=1S/C32H39NO.C32H37NO.C31H37NO.C31H39NO.C31H37NO.C30H37NO.2C3H8.2C2H4O2/c2*1-22(2)25-10-12-26(13-11-25)30-16-14-28-20-29(34-3)15-17-31(28)32(30)27-8-6-23(7-9-27)18-19-33-21-24-4-5-24;1-21(2)24-9-11-25(12-10-24)29-15-13-27-19-28(33)14-16-30(27)31(29)26-7-5-22(6-8-26)17-18-32-20-23-3-4-23;2*1-5-19-32-20-18-23-6-8-26(9-7-23)31-29(25-12-10-24(11-13-25)22(2)3)16-14-27-21-28(33-4)15-17-30(27)31;1-4-18-31-19-17-22-5-7-25(8-6-22)30-28(24-11-9-23(10-12-24)21(2)3)15-13-26-20-27(32)14-16-29(26)30;2*1-3-2;2*1-2(3)4/h6-13,15,17,20,22,24,30,32-33H,4-5,14,16,18-19,21H2,1-3H3;6-13,15,17,20,22,24,33H,4-5,14,16,18-19,21H2,1-3H3;5-12,14,16,19,21,23,29,31-33H,3-4,13,15,17-18,20H2,1-2H3;6-13,15,17,21-22,29,31-32H,5,14,16,18-20H2,1-4H3;6-13,15,17,21-22,32H,5,14,16,18-20H2,1-4H3;5-12,14,16,20-21,28,30-32H,4,13,15,17-19H2,1-3H3;2*3H2,1-2H3;2*1H3,(H,3,4)/t30-,32+;;2*29-,31+;;28-,30+;;;;/m1.11.1..../s1.

What are the key properties of acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 2862.20 g/mol, XLogP of 45.83, 52 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;(5R,6S)-5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;N-(cyclopropylmethyl)-2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethanamine;N-(cyclopropylmethyl)-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine;N-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;N-[2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethyl]propan-1-amine;propane;(5R,6S)-6-(4-propan-2-ylphenyl)-5-[4-[2-(propylamino)ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 167581778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).