[1-(2-chloroanilino)-2-methylcyclohexyl]methanol

C14H20ClNO — CID 61048334

IUPAC[1-(2-chloroanilino)-2-methylcyclohexyl]methanol
SMILESCC1CCCCC1(CO)Nc1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-11-6-4-5-9-14(11,10-17)16-13-8-3-2-7-12(13)15/h2-3,7-8,11,16-17H,4-6,9-10H2,1H3
InChIKeyBOHCCNGETJGVFF-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.69
Rot. Bonds3

About [1-(2-chloroanilino)-2-methylcyclohexyl]methanol

[1-(2-chloroanilino)-2-methylcyclohexyl]methanol (PubChem CID 61048334) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [1-(2-chloroanilino)-2-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-chloroanilino)-2-methylcyclohexyl]methanol
PubChem CID61048334
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[1-(2-chloroanilino)-2-methylcyclohexyl]methanol
SMILESCC1CCCCC1(CO)Nc1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-11-6-4-5-9-14(11,10-17)16-13-8-3-2-7-12(13)15/h2-3,7-8,11,16-17H,4-6,9-10H2,1H3
InChIKeyBOHCCNGETJGVFF-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroanilino)-2-methylcyclohexyl]methanol?
The IUPAC name of [1-(2-chloroanilino)-2-methylcyclohexyl]methanol (CID 61048334) is [1-(2-chloroanilino)-2-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(2-chloroanilino)-2-methylcyclohexyl]methanol?
The canonical SMILES for [1-(2-chloroanilino)-2-methylcyclohexyl]methanol is CC1CCCCC1(CO)Nc1ccccc1Cl.
What is the InChIKey of [1-(2-chloroanilino)-2-methylcyclohexyl]methanol?
The InChIKey is BOHCCNGETJGVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11-6-4-5-9-14(11,10-17)16-13-8-3-2-7-12(13)15/h2-3,7-8,11,16-17H,4-6,9-10H2,1H3.
What are the key properties of [1-(2-chloroanilino)-2-methylcyclohexyl]methanol?
[1-(2-chloroanilino)-2-methylcyclohexyl]methanol has a molecular weight of 253.77 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroanilino)-2-methylcyclohexyl]methanol is sourced from PubChem (CID 61048334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).