[3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol

C17H27NO — CID 105102799

IUPAC[3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol
SMILESCC1CC(C)CC(C(O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C17H27NO/c1-12-8-13(2)10-15(9-12)17(19)14-6-5-7-16(11-14)18(3)4/h5-7,11-13,15,17,19H,8-10H2,1-4H3
InChIKeyYPZDSQCKLBJDPS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.86
Rot. Bonds3

About [3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol

[3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol (PubChem CID 105102799) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol
PubChem CID105102799
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol
SMILESCC1CC(C)CC(C(O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C17H27NO/c1-12-8-13(2)10-15(9-12)17(19)14-6-5-7-16(11-14)18(3)4/h5-7,11-13,15,17,19H,8-10H2,1-4H3
InChIKeyYPZDSQCKLBJDPS-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol
CID 105104222
cyclohexyl-[3-(dimethylamino)phenyl]methanol
CID 105100536
(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076
[3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116176
[3-(dimethylamino)phenyl]-(methylamino)methanol
CID 59725197
1-[3-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol
CID 105096689
1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol
CID 105076156
(3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol
CID 105114451
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
CID 82605939
3-chloro-1-[3-(dimethylamino)phenyl]propane-1,2-diol
CID 171862083
(2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol
CID 104817235

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol?
The IUPAC name of [3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol (CID 105102799) is [3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol?
The canonical SMILES for [3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol is CC1CC(C)CC(C(O)c2cccc(N(C)C)c2)C1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol?
The InChIKey is YPZDSQCKLBJDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-8-13(2)10-15(9-12)17(19)14-6-5-7-16(11-14)18(3)4/h5-7,11-13,15,17,19H,8-10H2,1-4H3.
What are the key properties of [3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol?
[3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol has a molecular weight of 261.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol is sourced from PubChem (CID 105102799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).