2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol

C24H30N2O — CID 141127629

IUPAC2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol
SMILESCN(C)C(O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccccc21
InChIInChI=1S/C24H30N2O/c1-25(2)22(27)17-26-21-16-10-9-15-20(21)23(18-11-5-3-6-12-18)24(26)19-13-7-4-8-14-19/h4,7-10,13-16,18,22,27H,3,5-6,11-12,17H2,1-2H3
InChIKeyPLZCMIKHPZUNDQ-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.24
Rot. Bonds5

About 2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol

2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol (PubChem CID 141127629) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol.

Molecular Properties

Compound Name2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol
PubChem CID141127629
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol
SMILESCN(C)C(O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccccc21
InChIInChI=1S/C24H30N2O/c1-25(2)22(27)17-26-21-16-10-9-15-20(21)23(18-11-5-3-6-12-18)24(26)19-13-7-4-8-14-19/h4,7-10,13-16,18,22,27H,3,5-6,11-12,17H2,1-2H3
InChIKeyPLZCMIKHPZUNDQ-UHFFFAOYSA-N
XLogP5.24
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-cyclohexyl-2-phenylindole-5-carboxylic acid
CID 11774213
1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol
CID 142999777
1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene
CID 175032315
2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 58923420
3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(3-hydroxyphenyl)indole-6-carboxylic acid
CID 58923454
3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-pyridin-3-ylindole-6-carboxylic acid
CID 6480928
2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146536
3-cyclohexyl-1-phenyl-2-propan-2-ylindole
CID 102225652
(2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
CID 7124980
3-cyclohexyl-1-[2-(ethenylamino)-2-oxoethyl]-2-phenylindole-6-carboxylic acid
CID 11211801
3-cyclohexyl-2-phenyl-1-(pyridin-3-ylmethyl)indole-6-carboxylic acid
CID 11178349
4-cyclohexyl-1,1-dimethyl-3-phenyl-2-phenylsulfanylpyrrolo[1,2-a]indole
CID 177468500

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol?
The IUPAC name of 2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol (CID 141127629) is 2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol.
What is the SMILES notation for 2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol?
The canonical SMILES for 2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol is CN(C)C(O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccccc21.
What is the InChIKey of 2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol?
The InChIKey is PLZCMIKHPZUNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-25(2)22(27)17-26-21-16-10-9-15-20(21)23(18-11-5-3-6-12-18)24(26)19-13-7-4-8-14-19/h4,7-10,13-16,18,22,27H,3,5-6,11-12,17H2,1-2H3.
What are the key properties of 2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol?
2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol has a molecular weight of 362.52 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol is sourced from PubChem (CID 141127629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).