[3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol

C16H25NO — CID 105104222

IUPAC[3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C16H25NO/c1-12-6-4-7-13(10-12)16(18)14-8-5-9-15(11-14)17(2)3/h5,8-9,11-13,16,18H,4,6-7,10H2,1-3H3
InChIKeyXKIQWDIQEVOAJK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.61
Rot. Bonds3

About [3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol

[3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol (PubChem CID 105104222) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol
PubChem CID105104222
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C16H25NO/c1-12-6-4-7-13(10-12)16(18)14-8-5-9-15(11-14)17(2)3/h5,8-9,11-13,16,18H,4,6-7,10H2,1-3H3
InChIKeyXKIQWDIQEVOAJK-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(dimethylamino)phenyl]-(3,5-dimethylcyclohexyl)methanol
CID 105102799
cyclohexyl-[3-(dimethylamino)phenyl]methanol
CID 105100536
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
CID 55187547
[3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116176
(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol
CID 65026372
2-(3-methylcyclohexyl)-1-phenylpropan-1-ol
CID 104846164
(3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 63411173
2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol
CID 70463295
(3-aminophenyl)-cyclobutylmethanol
CID 105437114
(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol
CID 114885757
(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724076

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol?
The IUPAC name of [3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol (CID 105104222) is [3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol?
The canonical SMILES for [3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol is CC1CCCC(C(O)c2cccc(N(C)C)c2)C1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol?
The InChIKey is XKIQWDIQEVOAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-4-7-13(10-12)16(18)14-8-5-9-15(11-14)17(2)3/h5,8-9,11-13,16,18H,4,6-7,10H2,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol?
[3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol has a molecular weight of 247.38 g/mol, XLogP of 3.61, 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-methylcyclohexyl)methanol is sourced from PubChem (CID 105104222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).