[2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol

C16H25NO — CID 64754408

IUPAC[2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol
SMILESCc1cccc(NC2(CO)CCCC(C)C2C)c1
InChIInChI=1S/C16H25NO/c1-12-6-4-8-15(10-12)17-16(11-18)9-5-7-13(2)14(16)3/h4,6,8,10,13-14,17-18H,5,7,9,11H2,1-3H3
InChIKeyOQRNLHMJXTVITG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds3

About [2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol

[2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol (PubChem CID 64754408) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol
PubChem CID64754408
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol
SMILESCc1cccc(NC2(CO)CCCC(C)C2C)c1
InChIInChI=1S/C16H25NO/c1-12-6-4-8-15(10-12)17-16(11-18)9-5-7-13(2)14(16)3/h4,6,8,10,13-14,17-18H,5,7,9,11H2,1-3H3
InChIKeyOQRNLHMJXTVITG-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

Analyze [2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline
CID 65378408
[1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol
CID 64756452
ethyl 2,3-dimethyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 64754340
[2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol
CID 106664005
[5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol
CID 63428303
3-methyl-1-(3-methylanilino)cyclohexane-1-carboxylic acid
CID 60993631
[2-methyl-1-(4-methylanilino)cyclopentyl]methanol
CID 65049776
[2-(3-bromoanilino)-2-bicyclo[4.1.0]heptanyl]methanol
CID 112740420
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
[1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol
CID 63428046
[2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol
CID 63428477
1-(3-methylanilino)-3-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64758435

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol?
The IUPAC name of [2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol (CID 64754408) is [2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol.
What is the SMILES notation for [2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol?
The canonical SMILES for [2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol is Cc1cccc(NC2(CO)CCCC(C)C2C)c1.
What is the InChIKey of [2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol?
The InChIKey is OQRNLHMJXTVITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-4-8-15(10-12)17-16(11-18)9-5-7-13(2)14(16)3/h4,6,8,10,13-14,17-18H,5,7,9,11H2,1-3H3.
What are the key properties of [2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol?
[2,3-dimethyl-1-(3-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 [2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol is sourced from PubChem (CID 64754408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).