[1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol

C16H24ClNO — CID 107450317

IUPAC[1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol
SMILESCC(C)C1CCCC(CO)(Nc2ccccc2Cl)C1
InChIInChI=1S/C16H24ClNO/c1-12(2)13-6-5-9-16(10-13,11-19)18-15-8-4-3-7-14(15)17/h3-4,7-8,12-13,18-19H,5-6,9-11H2,1-2H3
InChIKeyJUWATQBWJPBXAE-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.33
Rot. Bonds4

About [1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol

[1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol (PubChem CID 107450317) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is [1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol
PubChem CID107450317
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name[1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol
SMILESCC(C)C1CCCC(CO)(Nc2ccccc2Cl)C1
InChIInChI=1S/C16H24ClNO/c1-12(2)13-6-5-9-16(10-13,11-19)18-15-8-4-3-7-14(15)17/h3-4,7-8,12-13,18-19H,5-6,9-11H2,1-2H3
InChIKeyJUWATQBWJPBXAE-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol?
The IUPAC name of [1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol (CID 107450317) is [1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol.
What is the SMILES notation for [1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol?
The canonical SMILES for [1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol is CC(C)C1CCCC(CO)(Nc2ccccc2Cl)C1.
What is the InChIKey of [1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol?
The InChIKey is JUWATQBWJPBXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(2)13-6-5-9-16(10-13,11-19)18-15-8-4-3-7-14(15)17/h3-4,7-8,12-13,18-19H,5-6,9-11H2,1-2H3.
What are the key properties of [1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol?
[1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol has a molecular weight of 281.83 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol is sourced from PubChem (CID 107450317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).