(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol

C22H29NO — CID 155786495

IUPAC(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
SMILESC[C@H](O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H29NO/c1-18(24)21-12-14-22(15-13-21)23(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-11,18,21-22,24H,12-17H2,1H3/t18-,21?,22?/m0/s1
InChIKeyOAPJRPUBVBGAIB-XTWGIRIWSA-N
MW323.48 g/mol
LogP4.63
Rot. Bonds6

About (1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol

(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol (PubChem CID 155786495) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
PubChem CID155786495
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
SMILESC[C@H](O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H29NO/c1-18(24)21-12-14-22(15-13-21)23(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-11,18,21-22,24H,12-17H2,1H3/t18-,21?,22?/m0/s1
InChIKeyOAPJRPUBVBGAIB-XTWGIRIWSA-N
XLogP4.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
N,N-dibenzylcyclobutanamine
CID 70822586
N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine
CID 43575852
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
[(3R)-3-(dibenzylamino)cyclopentyl]methanol
CID 141255961
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol
CID 139369069
N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine
CID 71237036
(2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol
CID 118917713
4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol
CID 175052692
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine
CID 107113137

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol?
The IUPAC name of (1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol (CID 155786495) is (1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol?
The canonical SMILES for (1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol is C[C@H](O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of (1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol?
The InChIKey is OAPJRPUBVBGAIB-XTWGIRIWSA-N. The full InChI is InChI=1S/C22H29NO/c1-18(24)21-12-14-22(15-13-21)23(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-11,18,21-22,24H,12-17H2,1H3/t18-,21?,22?/m0/s1.
What are the key properties of (1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol?
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol has a molecular weight of 323.48 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol is sourced from PubChem (CID 155786495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).