5-chloro-2-(cyclohexylmethyl)aniline

C13H18ClN — CID 105481516

IUPAC5-chloro-2-(cyclohexylmethyl)aniline
SMILESNc1cc(Cl)ccc1CC1CCCCC1
InChIInChI=1S/C13H18ClN/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8,15H2
InChIKeyDNWKAPMVFWBKFL-UHFFFAOYSA-N
MW223.75 g/mol
LogP4.05
Rot. Bonds2

About 5-chloro-2-(cyclohexylmethyl)aniline

5-chloro-2-(cyclohexylmethyl)aniline (PubChem CID 105481516) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 5-chloro-2-(cyclohexylmethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(cyclohexylmethyl)aniline
PubChem CID105481516
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name5-chloro-2-(cyclohexylmethyl)aniline
SMILESNc1cc(Cl)ccc1CC1CCCCC1
InChIInChI=1S/C13H18ClN/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8,15H2
InChIKeyDNWKAPMVFWBKFL-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(cycloheptylmethyl)-5-methylaniline
CID 105471815
[5-chloro-2-(cyclopentylmethyl)phenyl]hydrazine
CID 118042898
5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 63632089
2-(cyclopentylmethyl)aniline
CID 15634615
3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine
CID 64505554
7-chloro-4-(cyclohexylmethyl)quinoline
CID 122374976
5-chloro-2-(cyclopentylsulfinylmethyl)aniline
CID 63115581
ethyl 3-amino-4-(cycloheptylmethyl)benzoate
CID 158065347
5-bromo-2-(cyclopropylmethyl)aniline
CID 105483648
1-chloro-3-[(2,4-dichlorophenyl)methyl]cycloheptane
CID 64507512
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
cyclohexylmethyl 2-amino-4-chlorobenzoate
CID 63450317

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclohexylmethyl)aniline?
The IUPAC name of 5-chloro-2-(cyclohexylmethyl)aniline (CID 105481516) is 5-chloro-2-(cyclohexylmethyl)aniline.
What is the SMILES notation for 5-chloro-2-(cyclohexylmethyl)aniline?
The canonical SMILES for 5-chloro-2-(cyclohexylmethyl)aniline is Nc1cc(Cl)ccc1CC1CCCCC1.
What is the InChIKey of 5-chloro-2-(cyclohexylmethyl)aniline?
The InChIKey is DNWKAPMVFWBKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8,15H2.
What are the key properties of 5-chloro-2-(cyclohexylmethyl)aniline?
5-chloro-2-(cyclohexylmethyl)aniline has a molecular weight of 223.75 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclohexylmethyl)aniline is sourced from PubChem (CID 105481516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).