1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol

C158H174N12O11 — CID 158678933

About 1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol

1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol (PubChem CID 158678933) has the molecular formula C158H174N12O11 and a molecular weight of 2417.20 g/mol. Its IUPAC name is 1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol
• PubChem CID: 158678933
• Molecular Formula: C158H174N12O11
• Molecular Weight: 2417.20 g/mol
• Exact Mass: 2415.34
• IUPAC Name: 1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol
• SMILES: C#CCc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.C=C1Cc2cc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)ccc2N1.CN(CC(O)CN1CCc2ccccc2C1)c1cccc(CCC2CCCCC2)c1.Cc1ccccc1-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.Cn1cc2cc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)ccc2n1.Cn1cc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc2n1
• InChI: InChI=1S/C27H28N2O2.C27H38N2O.C27H27NO2.2C26H27N3O2.C25H27NO2/c1-19-13-24-14-22(9-10-27(24)28-19)21-7-4-8-26(15-21)31-18-25(30)17-29-12-11-20-5-2-3-6-23(20)16-29;1-28(20-27(30)21-29-17-16-24-11-5-6-12-25(24)19-29)26-13-7-10-23(18-26)15-14-22-8-3-2-4-9-22;1-2-7-21-8-5-11-23(16-21)24-12-6-13-27(17-24)30-20-26(29)19-28-15-14-22-9-3-4-10-25(22)18-28;1-28-15-23-13-21(9-10-26(23)27-28)20-7-4-8-25(14-20)31-18-24(30)17-29-12-11-19-5-2-3-6-22(19)16-29;1-28-15-23-10-9-21(14-26(23)27-28)20-7-4-8-25(13-20)31-18-24(30)17-29-12-11-19-5-2-3-6-22(19)16-29;1-19-7-2-5-12-25(19)21-10-6-11-24(15-21)28-18-23(27)17-26-14-13-20-8-3-4-9-22(20)16-26/h2-10,14-15,25,28,30H,1,11-13,16-18H2;5-7,10-13,18,22,27,30H,2-4,8-9,14-17,19-21H2,1H3;1,3-6,8-13,16-17,26,29H,7,14-15,18-20H2;2*2-10,13-15,24,30H,11-12,16-18H2,1H3;2-12,15,23,27H,13-14,16-18H2,1H3
• InChIKey: IEWIBSGSBUHLKA-UHFFFAOYSA-N
• XLogP: 26.55
• TPSA: 237.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 39
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2417.20
LogP ≤ 5	26.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol?

The IUPAC name of 1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol (CID 158678933) is 1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol.

What is the SMILES notation for 1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol?

The canonical SMILES for 1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol is C#CCc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.C=C1Cc2cc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)ccc2N1.CN(CC(O)CN1CCc2ccccc2C1)c1cccc(CCC2CCCCC2)c1.Cc1ccccc1-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.Cn1cc2cc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)ccc2n1.Cn1cc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc2n1.

What is the InChIKey of 1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol?

The InChIKey is IEWIBSGSBUHLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2.C27H38N2O.C27H27NO2.2C26H27N3O2.C25H27NO2/c1-19-13-24-14-22(9-10-27(24)28-19)21-7-4-8-26(15-21)31-18-25(30)17-29-12-11-20-5-2-3-6-23(20)16-29;1-28(20-27(30)21-29-17-16-24-11-5-6-12-25(24)19-29)26-13-7-10-23(18-26)15-14-22-8-3-2-4-9-22;1-2-7-21-8-5-11-23(16-21)24-12-6-13-27(17-24)30-20-26(29)19-28-15-14-22-9-3-4-10-25(22)18-28;1-28-15-23-13-21(9-10-26(23)27-28)20-7-4-8-25(14-20)31-18-24(30)17-29-12-11-19-5-2-3-6-22(19)16-29;1-28-15-23-10-9-21(14-26(23)27-28)20-7-4-8-25(13-20)31-18-24(30)17-29-12-11-19-5-2-3-6-22(19)16-29;1-19-7-2-5-12-25(19)21-10-6-11-24(15-21)28-18-23(27)17-26-14-13-20-8-3-4-9-22(20)16-26/h2-10,14-15,25,28,30H,1,11-13,16-18H2;5-7,10-13,18,22,27,30H,2-4,8-9,14-17,19-21H2,1H3;1,3-6,8-13,16-17,26,29H,7,14-15,18-20H2;2*2-10,13-15,24,30H,11-12,16-18H2,1H3;2-12,15,23,27H,13-14,16-18H2,1H3.

What are the key properties of 1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol?

1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol has a molecular weight of 2417.20 g/mol, XLogP of 26.55, 39 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-cyclohexylethyl)-N-methylanilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylidene-1,3-dihydroindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol is sourced from PubChem (CID 158678933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).