N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine

C14H21ClN2 — CID 23137005

IUPACN-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(Cl)cc1)CC1CCNC1
InChIInChI=1S/C14H21ClN2/c1-2-17(11-13-7-8-16-9-13)10-12-3-5-14(15)6-4-12/h3-6,13,16H,2,7-11H2,1H3
InChIKeyYYQCYHUSKGQJLF-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.77
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine

N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine (PubChem CID 23137005) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
PubChem CID23137005
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(Cl)cc1)CC1CCNC1
InChIInChI=1S/C14H21ClN2/c1-2-17(11-13-7-8-16-9-13)10-12-3-5-14(15)6-4-12/h3-6,13,16H,2,7-11H2,1H3
InChIKeyYYQCYHUSKGQJLF-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine 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

N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(4-chlorophenyl)methyl]-N-[(5-nitrothiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 164899978
N-[(4-chlorophenyl)methyl]-N-[(5-nitrothiophen-2-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine;hydrochloride
CID 162716570
N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624365
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639291
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
N-[(3-chloro-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624521
N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 11674680
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 81437108
N-[(3-fluoro-4-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715680

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine (CID 23137005) is N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine is CCN(Cc1ccc(Cl)cc1)CC1CCNC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine?
The InChIKey is YYQCYHUSKGQJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-17(11-13-7-8-16-9-13)10-12-3-5-14(15)6-4-12/h3-6,13,16H,2,7-11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine?
N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine has a molecular weight of 252.79 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 23137005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).