[1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol

C15H22ClNO — CID 64756452

IUPAC[1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2ccc(Cl)cc2)C1C
InChIInChI=1S/C15H22ClNO/c1-11-4-3-9-15(10-18,12(11)2)17-14-7-5-13(16)6-8-14/h5-8,11-12,17-18H,3-4,9-10H2,1-2H3
InChIKeyXQPHWEJMRDVCHU-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.94
Rot. Bonds3

About [1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol

[1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol (PubChem CID 64756452) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol
PubChem CID64756452
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2ccc(Cl)cc2)C1C
InChIInChI=1S/C15H22ClNO/c1-11-4-3-9-15(10-18,12(11)2)17-14-7-5-13(16)6-8-14/h5-8,11-12,17-18H,3-4,9-10H2,1-2H3
InChIKeyXQPHWEJMRDVCHU-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol?
The IUPAC name of [1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol (CID 64756452) is [1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol.
What is the SMILES notation for [1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol?
The canonical SMILES for [1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol is CC1CCCC(CO)(Nc2ccc(Cl)cc2)C1C.
What is the InChIKey of [1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol?
The InChIKey is XQPHWEJMRDVCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-4-3-9-15(10-18,12(11)2)17-14-7-5-13(16)6-8-14/h5-8,11-12,17-18H,3-4,9-10H2,1-2H3.
What are the key properties of [1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol?
[1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol has a molecular weight of 267.80 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol is sourced from PubChem (CID 64756452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).