4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline

C13H19ClN2 — CID 79583179

IUPAC4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline
SMILESCN(Cc1cc(Cl)ccc1N)C1CCCC1
InChIInChI=1S/C13H19ClN2/c1-16(12-4-2-3-5-12)9-10-8-11(14)6-7-13(10)15/h6-8,12H,2-5,9,15H2,1H3
InChIKeyKVLALRBJDRFCPF-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.30
Rot. Bonds3

About 4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline

4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline (PubChem CID 79583179) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline
PubChem CID79583179
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline
SMILESCN(Cc1cc(Cl)ccc1N)C1CCCC1
InChIInChI=1S/C13H19ClN2/c1-16(12-4-2-3-5-12)9-10-8-11(14)6-7-13(10)15/h6-8,12H,2-5,9,15H2,1H3
InChIKeyKVLALRBJDRFCPF-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[cyclohexyl(methyl)amino]methyl]aniline
CID 79583096
N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79583035
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol
CID 82974965
N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974374
N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43613817
2-[[(4-aminocyclohexyl)-methylamino]methyl]-4-chlorophenol
CID 79114977
N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 64768656
N-[(4-amino-3-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 55159078
N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 43613742
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline?
The IUPAC name of 4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline (CID 79583179) is 4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline?
The canonical SMILES for 4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline is CN(Cc1cc(Cl)ccc1N)C1CCCC1.
What is the InChIKey of 4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline?
The InChIKey is KVLALRBJDRFCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-16(12-4-2-3-5-12)9-10-8-11(14)6-7-13(10)15/h6-8,12H,2-5,9,15H2,1H3.
What are the key properties of 4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline?
4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline has a molecular weight of 238.76 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 79583179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).