[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

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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).