3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride

C25H33ClN2O — CID 24953997

IUPAC3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(c2[nH]c3ccccc3c2CCCO)CC1.Cl
InChIInChI=1S/C25H32N2O.ClH/c1-27(2)25(20-9-4-3-5-10-20)16-14-19(15-17-25)24-22(12-8-18-28)21-11-6-7-13-23(21)26-24;/h3-7,9-11,13,19,26,28H,8,12,14-18H2,1-2H3;1H
InChIKeyCXYJTBUFPUTNLM-UHFFFAOYSA-N
MW413.01 g/mol
LogP5.63
Rot. Bonds6

About 3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride

3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride (PubChem CID 24953997) has the molecular formula C25H33ClN2O and a molecular weight of 413.01 g/mol. Its IUPAC name is 3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride
PubChem CID24953997
Molecular FormulaC25H33ClN2O
Molecular Weight413.01 g/mol
Exact Mass412.23
IUPAC Name3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(c2[nH]c3ccccc3c2CCCO)CC1.Cl
InChIInChI=1S/C25H32N2O.ClH/c1-27(2)25(20-9-4-3-5-10-20)16-14-19(15-17-25)24-22(12-8-18-28)21-11-6-7-13-23(21)26-24;/h3-7,9-11,13,19,26,28H,8,12,14-18H2,1-2H3;1H
InChIKeyCXYJTBUFPUTNLM-UHFFFAOYSA-N
XLogP5.63
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.01
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine
CID 24953651
N,N-dimethyl-4-[3-(2-morpholin-4-ylethyl)-1H-indol-2-yl]-1-phenylcyclohexan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 24952949
3-[2-[4-(dimethylamino)-4-phenylcyclohexen-1-yl]-1H-indol-3-yl]propan-1-ol;1H-indole
CID 158726365
1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine
CID 66782954
N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine
CID 44513166
2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine
CID 68844897
N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine
CID 10292753
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
CID 115217891
2-[4-(dimethylamino)-4-phenylcyclohexyl]-3-methyl-1H-indole-5-carbonitrile;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 24953642
1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride
CID 68895646
4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 68633204
N-[4-(dimethylamino)-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexyl]-N-methylacetamide
CID 158979433

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride?
The IUPAC name of 3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride (CID 24953997) is 3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride?
The canonical SMILES for 3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride is CN(C)C1(c2ccccc2)CCC(c2[nH]c3ccccc3c2CCCO)CC1.Cl.
What is the InChIKey of 3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride?
The InChIKey is CXYJTBUFPUTNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O.ClH/c1-27(2)25(20-9-4-3-5-10-20)16-14-19(15-17-25)24-22(12-8-18-28)21-11-6-7-13-23(21)26-24;/h3-7,9-11,13,19,26,28H,8,12,14-18H2,1-2H3;1H.
What are the key properties of 3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride?
3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride has a molecular weight of 413.01 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride is sourced from PubChem (CID 24953997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).