[1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride

C20H26ClNO — CID 13181052

IUPAC[1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride
SMILESCl.OCC1(N(Cc2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C20H25NO.ClH/c22-17-20(14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18;/h1-2,4-7,10-13,22H,3,8-9,14-17H2;1H
InChIKeySSTYTFYRPFBJRQ-UHFFFAOYSA-N
MW331.89 g/mol
LogP4.81
Rot. Bonds5

About [1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride

[1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride (PubChem CID 13181052) has the molecular formula C20H26ClNO and a molecular weight of 331.89 g/mol. Its IUPAC name is [1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride
PubChem CID13181052
Molecular FormulaC20H26ClNO
Molecular Weight331.89 g/mol
Exact Mass331.17
IUPAC Name[1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride
SMILESCl.OCC1(N(Cc2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C20H25NO.ClH/c22-17-20(14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18;/h1-2,4-7,10-13,22H,3,8-9,14-17H2;1H
InChIKeySSTYTFYRPFBJRQ-UHFFFAOYSA-N
XLogP4.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide
CID 113310819
cyclohexane;N,N-dibenzylhydroxylamine
CID 19709160
6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849284
1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
CID 63480657
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199
N-benzyl-N-phenylhydroxylamine
CID 10241871
N-benzyl-N-methyl-1-phenylcyclohexan-1-amine
CID 86069546
1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol
CID 101251371
cyclopentane;phenylmethanol;titanium
CID 23229026
N,N-dibenzylaniline
CID 139071697
1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 62115129
N-benzyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-phenylacetamide
CID 31927853

Frequently Asked Questions

What is the IUPAC name of [1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride?
The IUPAC name of [1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride (CID 13181052) is [1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride.
What is the SMILES notation for [1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride?
The canonical SMILES for [1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride is Cl.OCC1(N(Cc2ccccc2)c2ccccc2)CCCCC1.
What is the InChIKey of [1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride?
The InChIKey is SSTYTFYRPFBJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.ClH/c22-17-20(14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18;/h1-2,4-7,10-13,22H,3,8-9,14-17H2;1H.
What are the key properties of [1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride?
[1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(N-benzylanilino)cyclohexyl]methanol;hydrochloride is sourced from PubChem (CID 13181052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).