2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen

C112H155F4N11O3 — CID 159511060

IUPAC2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen
SMILESCC1=C(C)C2C=CC(CC(=O)C[C@@H]3CCCC[C@H]3CN3CCC[C@@H](Cc4ccc(F)cc4)C3)=CC2N1.CN1CCN(C(CNCCc2ccccc2)c2ccccc2)CC1.COc1ccccc1CCNCC(c1ccc(C(C)(C)C)cc1)N1CCN(c2ccccc2)CC1.COc1ccccc1CCNCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1.[H][H].[H][H]
InChIInChI=1S/C32H43FN2O.C31H41N3O.C28H38F3N3O.C21H29N3.2H2/c1-22-23(2)34-32-18-25(11-14-31(22)32)17-30(36)19-27-7-3-4-8-28(27)21-35-15-5-6-26(20-35)16-24-9-12-29(33)13-10-24;1-31(2,3)27-16-14-25(15-17-27)29(24-32-19-18-26-10-8-9-13-30(26)35-4)34-22-20-33(21-23-34)28-11-6-5-7-12-28;1-35-27-10-6-5-7-23(27)15-16-32-21-26(22-11-13-24(14-12-22)28(29,30)31)34-19-17-33(18-20-34)25-8-3-2-4-9-25;1-23-14-16-24(17-15-23)21(20-10-6-3-7-11-20)18-22-13-12-19-8-4-2-5-9-19;;/h9-14,18,26-28,31-32,34H,3-8,15-17,19-21H2,1-2H3;5-17,29,32H,18-24H2,1-4H3;5-7,10-14,25-26,32H,2-4,8-9,15-21H2,1H3;2-11,21-22H,12-18H2,1H3;2*1H/t26-,27-,28-,31?,32?;;;;;/m0...../s1
InChIKeyMAPNFRVTMVHCRL-JFXCUFSVSA-N
MW1779.54 g/mol
LogP21.14
Rot. Bonds33

About 2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen

2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen (PubChem CID 159511060) has the molecular formula C112H155F4N11O3 and a molecular weight of 1779.54 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen
PubChem CID159511060
Molecular FormulaC112H155F4N11O3
Molecular Weight1779.54 g/mol
Exact Mass1778.23
IUPAC Name2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen
SMILESCC1=C(C)C2C=CC(CC(=O)C[C@@H]3CCCC[C@H]3CN3CCC[C@@H](Cc4ccc(F)cc4)C3)=CC2N1.CN1CCN(C(CNCCc2ccccc2)c2ccccc2)CC1.COc1ccccc1CCNCC(c1ccc(C(C)(C)C)cc1)N1CCN(c2ccccc2)CC1.COc1ccccc1CCNCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1.[H][H].[H][H]
InChIInChI=1S/C32H43FN2O.C31H41N3O.C28H38F3N3O.C21H29N3.2H2/c1-22-23(2)34-32-18-25(11-14-31(22)32)17-30(36)19-27-7-3-4-8-28(27)21-35-15-5-6-26(20-35)16-24-9-12-29(33)13-10-24;1-31(2,3)27-16-14-25(15-17-27)29(24-32-19-18-26-10-8-9-13-30(26)35-4)34-22-20-33(21-23-34)28-11-6-5-7-12-28;1-35-27-10-6-5-7-23(27)15-16-32-21-26(22-11-13-24(14-12-22)28(29,30)31)34-19-17-33(18-20-34)25-8-3-2-4-9-25;1-23-14-16-24(17-15-23)21(20-10-6-3-7-11-20)18-22-13-12-19-8-4-2-5-9-19;;/h9-14,18,26-28,31-32,34H,3-8,15-17,19-21H2,1-2H3;5-17,29,32H,18-24H2,1-4H3;5-7,10-14,25-26,32H,2-4,8-9,15-21H2,1H3;2-11,21-22H,12-18H2,1H3;2*1H/t26-,27-,28-,31?,32?;;;;;/m0...../s1
InChIKeyMAPNFRVTMVHCRL-JFXCUFSVSA-N
XLogP21.14
TPSA106.33 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001779.54
LogP ≤ 521.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen (CID 159511060) is 2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen is CC1=C(C)C2C=CC(CC(=O)C[C@@H]3CCCC[C@H]3CN3CCC[C@@H](Cc4ccc(F)cc4)C3)=CC2N1.CN1CCN(C(CNCCc2ccccc2)c2ccccc2)CC1.COc1ccccc1CCNCC(c1ccc(C(C)(C)C)cc1)N1CCN(c2ccccc2)CC1.COc1ccccc1CCNCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1.[H][H].[H][H].
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen?
The InChIKey is MAPNFRVTMVHCRL-JFXCUFSVSA-N. The full InChI is InChI=1S/C32H43FN2O.C31H41N3O.C28H38F3N3O.C21H29N3.2H2/c1-22-23(2)34-32-18-25(11-14-31(22)32)17-30(36)19-27-7-3-4-8-28(27)21-35-15-5-6-26(20-35)16-24-9-12-29(33)13-10-24;1-31(2,3)27-16-14-25(15-17-27)29(24-32-19-18-26-10-8-9-13-30(26)35-4)34-22-20-33(21-23-34)28-11-6-5-7-12-28;1-35-27-10-6-5-7-23(27)15-16-32-21-26(22-11-13-24(14-12-22)28(29,30)31)34-19-17-33(18-20-34)25-8-3-2-4-9-25;1-23-14-16-24(17-15-23)21(20-10-6-3-7-11-20)18-22-13-12-19-8-4-2-5-9-19;;/h9-14,18,26-28,31-32,34H,3-8,15-17,19-21H2,1-2H3;5-17,29,32H,18-24H2,1-4H3;5-7,10-14,25-26,32H,2-4,8-9,15-21H2,1H3;2-11,21-22H,12-18H2,1H3;2*1H/t26-,27-,28-,31?,32?;;;;;/m0...../s1.
What are the key properties of 2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen?
2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen has a molecular weight of 1779.54 g/mol, XLogP of 21.14, 33 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen is sourced from PubChem (CID 159511060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).