[4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol

C16H25NO — CID 83980394

IUPAC[4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol
SMILESCN(Cc1ccccc1)CC1CCC(CO)CC1
InChIInChI=1S/C16H25NO/c1-17(11-14-5-3-2-4-6-14)12-15-7-9-16(13-18)10-8-15/h2-6,15-16,18H,7-13H2,1H3
InChIKeyBSJNHVVVTXLPRC-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.92
Rot. Bonds5

About [4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol

[4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol (PubChem CID 83980394) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol
PubChem CID83980394
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol
SMILESCN(Cc1ccccc1)CC1CCC(CO)CC1
InChIInChI=1S/C16H25NO/c1-17(11-14-5-3-2-4-6-14)12-15-7-9-16(13-18)10-8-15/h2-6,15-16,18H,7-13H2,1H3
InChIKeyBSJNHVVVTXLPRC-UHFFFAOYSA-N
XLogP2.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol
CID 112631198
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
[4-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]methanol
CID 113365922
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-2-chloroethanone
CID 66567053
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62426751
2-[[benzyl(methyl)amino]methyl]cyclopentan-1-ol
CID 62609001
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875257
N-(cyclopropylmethyl)-N-methyl-3-phenylpropan-1-amine
CID 54365066
N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine
CID 118042391
4-[[cyclopropylmethyl(methyl)amino]methyl]benzenecarbothioamide
CID 60984483
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171

Frequently Asked Questions

What is the IUPAC name of [4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol (CID 83980394) is [4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol is CN(Cc1ccccc1)CC1CCC(CO)CC1.
What is the InChIKey of [4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is BSJNHVVVTXLPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-17(11-14-5-3-2-4-6-14)12-15-7-9-16(13-18)10-8-15/h2-6,15-16,18H,7-13H2,1H3.
What are the key properties of [4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol?
[4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 83980394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).