[1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol

C22H36N2O — CID 59549350

IUPAC[1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(CNC(CC2CCCCC2)CN2CCCC2CO)cc1
InChIInChI=1S/C22H36N2O/c1-18-9-11-20(12-10-18)15-23-21(14-19-6-3-2-4-7-19)16-24-13-5-8-22(24)17-25/h9-12,19,21-23,25H,2-8,13-17H2,1H3
InChIKeyKENVCMDSSNZAHK-UHFFFAOYSA-N
MW344.54 g/mol
LogP3.88
Rot. Bonds8

About [1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol

[1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol (PubChem CID 59549350) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is [1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol
PubChem CID59549350
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC Name[1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(CNC(CC2CCCCC2)CN2CCCC2CO)cc1
InChIInChI=1S/C22H36N2O/c1-18-9-11-20(12-10-18)15-23-21(14-19-6-3-2-4-7-19)16-24-13-5-8-22(24)17-25/h9-12,19,21-23,25H,2-8,13-17H2,1H3
InChIKeyKENVCMDSSNZAHK-UHFFFAOYSA-N
XLogP3.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol
CID 67961822
1-cycloheptyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 114458140
N-[(1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethyl]-4-methylbenzenesulfonamide
CID 11360845
2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-methylphenyl)ethanone
CID 116635378
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
[1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol
CID 62618435
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanone
CID 62036905
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol
CID 77439017
1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 65458139
1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine
CID 83982714
benzyl 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 106484533

Frequently Asked Questions

What is the IUPAC name of [1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol (CID 59549350) is [1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol is Cc1ccc(CNC(CC2CCCCC2)CN2CCCC2CO)cc1.
What is the InChIKey of [1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol?
The InChIKey is KENVCMDSSNZAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O/c1-18-9-11-20(12-10-18)15-23-21(14-19-6-3-2-4-7-19)16-24-13-5-8-22(24)17-25/h9-12,19,21-23,25H,2-8,13-17H2,1H3.
What are the key properties of [1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol?
[1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol has a molecular weight of 344.54 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-cyclohexyl-2-[(4-methylphenyl)methylamino]propyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 59549350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).