4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline

C14H21ClN2 — CID 43540735

IUPAC4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline
SMILESCCN(Cc1cc(N)ccc1Cl)C1CCCC1
InChIInChI=1S/C14H21ClN2/c1-2-17(13-5-3-4-6-13)10-11-9-12(16)7-8-14(11)15/h7-9,13H,2-6,10,16H2,1H3
InChIKeyWKMALOIXGKWUDA-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.69
Rot. Bonds4

About 4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline

4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline (PubChem CID 43540735) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline
PubChem CID43540735
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline
SMILESCCN(Cc1cc(N)ccc1Cl)C1CCCC1
InChIInChI=1S/C14H21ClN2/c1-2-17(13-5-3-4-6-13)10-11-9-12(16)7-8-14(11)15/h7-9,13H,2-6,10,16H2,1H3
InChIKeyWKMALOIXGKWUDA-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.69
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

3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 43540722
4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline
CID 64768453
4-[[cyclohexyl(ethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117404
N-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine
CID 43541101
3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline
CID 43263758
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
CID 43264518
4-chloro-3-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 78973855
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 63171749
4-N-[(2-chloro-5-fluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 102617001
2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine
CID 79245632

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline?
The IUPAC name of 4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline (CID 43540735) is 4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline.
What is the SMILES notation for 4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline?
The canonical SMILES for 4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline is CCN(Cc1cc(N)ccc1Cl)C1CCCC1.
What is the InChIKey of 4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline?
The InChIKey is WKMALOIXGKWUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-17(13-5-3-4-6-13)10-11-9-12(16)7-8-14(11)15/h7-9,13H,2-6,10,16H2,1H3.
What are the key properties of 4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline?
4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline has a molecular weight of 252.79 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline is sourced from PubChem (CID 43540735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).