[1-(3-chloroanilino)cyclohexyl]methanol

C13H18ClNO — CID 61050342

IUPAC[1-(3-chloroanilino)cyclohexyl]methanol
SMILESOCC1(Nc2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C13H18ClNO/c14-11-5-4-6-12(9-11)15-13(10-16)7-2-1-3-8-13/h4-6,9,15-16H,1-3,7-8,10H2
InChIKeyDBXWCGMHTGOSCY-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.45
Rot. Bonds3

About [1-(3-chloroanilino)cyclohexyl]methanol

[1-(3-chloroanilino)cyclohexyl]methanol (PubChem CID 61050342) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is [1-(3-chloroanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-chloroanilino)cyclohexyl]methanol
PubChem CID61050342
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name[1-(3-chloroanilino)cyclohexyl]methanol
SMILESOCC1(Nc2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C13H18ClNO/c14-11-5-4-6-12(9-11)15-13(10-16)7-2-1-3-8-13/h4-6,9,15-16H,1-3,7-8,10H2
InChIKeyDBXWCGMHTGOSCY-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(3-chloroanilino)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

[1-(3-chloroanilino)cyclooctyl]methanol
CID 63428436
[4-(3-chloroanilino)piperidin-4-yl]methanol
CID 61242648
[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol
CID 61049744
[1-(3-chloroanilino)-4-propylcyclohexyl]methanol
CID 63428476
[1-(2-amino-5-chloroanilino)cyclohexyl]methanol
CID 115468903
[2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol
CID 63428477
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline
CID 65384023
3-(3-chlorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945718
3-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile
CID 102817459
3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine
CID 65384870
N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline
CID 67403837

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloroanilino)cyclohexyl]methanol?
The IUPAC name of [1-(3-chloroanilino)cyclohexyl]methanol (CID 61050342) is [1-(3-chloroanilino)cyclohexyl]methanol.
What is the SMILES notation for [1-(3-chloroanilino)cyclohexyl]methanol?
The canonical SMILES for [1-(3-chloroanilino)cyclohexyl]methanol is OCC1(Nc2cccc(Cl)c2)CCCCC1.
What is the InChIKey of [1-(3-chloroanilino)cyclohexyl]methanol?
The InChIKey is DBXWCGMHTGOSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-11-5-4-6-12(9-11)15-13(10-16)7-2-1-3-8-13/h4-6,9,15-16H,1-3,7-8,10H2.
What are the key properties of [1-(3-chloroanilino)cyclohexyl]methanol?
[1-(3-chloroanilino)cyclohexyl]methanol has a molecular weight of 239.75 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloroanilino)cyclohexyl]methanol is sourced from PubChem (CID 61050342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).