4-chloro-N-(cyclohexylmethyl)aniline

C13H18ClN — CID 14472297

IUPAC4-chloro-N-(cyclohexylmethyl)aniline
SMILESClc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C13H18ClN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2
InChIKeyOFTJFQASRVCXBE-UHFFFAOYSA-N
MW223.75 g/mol
LogP4.33
Rot. Bonds3

About 4-chloro-N-(cyclohexylmethyl)aniline

4-chloro-N-(cyclohexylmethyl)aniline (PubChem CID 14472297) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 4-chloro-N-(cyclohexylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(cyclohexylmethyl)aniline
PubChem CID14472297
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name4-chloro-N-(cyclohexylmethyl)aniline
SMILESClc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C13H18ClN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2
InChIKeyOFTJFQASRVCXBE-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclohexylmethyl)aniline?
The IUPAC name of 4-chloro-N-(cyclohexylmethyl)aniline (CID 14472297) is 4-chloro-N-(cyclohexylmethyl)aniline.
What is the SMILES notation for 4-chloro-N-(cyclohexylmethyl)aniline?
The canonical SMILES for 4-chloro-N-(cyclohexylmethyl)aniline is Clc1ccc(NCC2CCCCC2)cc1.
What is the InChIKey of 4-chloro-N-(cyclohexylmethyl)aniline?
The InChIKey is OFTJFQASRVCXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2.
What are the key properties of 4-chloro-N-(cyclohexylmethyl)aniline?
4-chloro-N-(cyclohexylmethyl)aniline has a molecular weight of 223.75 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclohexylmethyl)aniline is sourced from PubChem (CID 14472297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).