N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine

C13H18ClFN2 — CID 63300164

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(Cc1ccc(F)cc1Cl)C1CCNC1
InChIInChI=1S/C13H18ClFN2/c1-2-17(12-5-6-16-8-12)9-10-3-4-11(15)7-13(10)14/h3-4,7,12,16H,2,5-6,8-9H2,1H3
InChIKeyXZSNFDOXAIWATD-UHFFFAOYSA-N
MW256.75 g/mol
LogP2.66
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine

N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine (PubChem CID 63300164) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
PubChem CID63300164
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(Cc1ccc(F)cc1Cl)C1CCNC1
InChIInChI=1S/C13H18ClFN2/c1-2-17(12-5-6-16-8-12)9-10-3-4-11(15)7-13(10)14/h3-4,7,12,16H,2,5-6,8-9H2,1H3
InChIKeyXZSNFDOXAIWATD-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine 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

2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol
CID 107699202
N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63637857
2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-5-fluorobenzonitrile
CID 63300323
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11623560
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
5-fluoro-2-[[propyl(pyrrolidin-3-yl)amino]methyl]benzonitrile
CID 63304215
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481
N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine
CID 63300526
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine (CID 63300164) is N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine is CCN(Cc1ccc(F)cc1Cl)C1CCNC1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine?
The InChIKey is XZSNFDOXAIWATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-2-17(12-5-6-16-8-12)9-10-3-4-11(15)7-13(10)14/h3-4,7,12,16H,2,5-6,8-9H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine?
N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine has a molecular weight of 256.75 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 63300164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).