[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol

C16H25NO — CID 64745873

IUPAC[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol
SMILESCc1ccc(NC2(CO)CCC(C)C(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-12-4-6-15(7-5-12)17-16(11-18)9-8-13(2)14(3)10-16/h4-7,13-14,17-18H,8-11H2,1-3H3
InChIKeyBENLCGXEJUCQBL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds3

About [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol

[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol (PubChem CID 64745873) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol
PubChem CID64745873
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol
SMILESCc1ccc(NC2(CO)CCC(C)C(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-12-4-6-15(7-5-12)17-16(11-18)9-8-13(2)14(3)10-16/h4-7,13-14,17-18H,8-11H2,1-3H3
InChIKeyBENLCGXEJUCQBL-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol
CID 79050341
[1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol
CID 62704125
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
[8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol
CID 114819821
[2-methyl-1-(4-methylanilino)cyclopentyl]methanol
CID 65049776
4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]benzonitrile
CID 62525674
(1-anilino-4-phenylcyclohexyl)methanol
CID 61046248
[1-(cyclohexylamino)-3,4-dimethylcyclohexyl]methanol
CID 64745681
[1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol
CID 106874202
[1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
CID 82855997
[1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol
CID 103564816
[3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol
CID 64624867

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol?
The IUPAC name of [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol (CID 64745873) is [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol.
What is the SMILES notation for [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol?
The canonical SMILES for [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol is Cc1ccc(NC2(CO)CCC(C)C(C)C2)cc1.
What is the InChIKey of [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol?
The InChIKey is BENLCGXEJUCQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-4-6-15(7-5-12)17-16(11-18)9-8-13(2)14(3)10-16/h4-7,13-14,17-18H,8-11H2,1-3H3.
What are the key properties of [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol?
[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol is sourced from PubChem (CID 64745873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).