[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol

C16H25NO — CID 104854163

IUPAC[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
SMILESCC1CCC(NCc2cccc(CO)c2)CC1C
InChIInChI=1S/C16H25NO/c1-12-6-7-16(8-13(12)2)17-10-14-4-3-5-15(9-14)11-18/h3-5,9,12-13,16-18H,6-8,10-11H2,1-2H3
InChIKeyNEDWEILYNHCJDS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.09
Rot. Bonds4

About [3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol

[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol (PubChem CID 104854163) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
PubChem CID104854163
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
SMILESCC1CCC(NCc2cccc(CO)c2)CC1C
InChIInChI=1S/C16H25NO/c1-12-6-7-16(8-13(12)2)17-10-14-4-3-5-15(9-14)11-18/h3-5,9,12-13,16-18H,6-8,10-11H2,1-2H3
InChIKeyNEDWEILYNHCJDS-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 64738706
[3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol
CID 107229702
[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol
CID 107229792
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64745038
[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol
CID 103699215
[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
CID 107229780
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
CID 102609613
N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298
N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 65478000
[3-[(1,4-dithiepan-6-ylamino)methyl]phenyl]methanol
CID 122562649

Frequently Asked Questions

What is the IUPAC name of [3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol (CID 104854163) is [3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol is CC1CCC(NCc2cccc(CO)c2)CC1C.
What is the InChIKey of [3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol?
The InChIKey is NEDWEILYNHCJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-7-16(8-13(12)2)17-10-14-4-3-5-15(9-14)11-18/h3-5,9,12-13,16-18H,6-8,10-11H2,1-2H3.
What are the key properties of [3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol?
[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 104854163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).