1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine

C14H21ClN2 — CID 79188821

IUPAC1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2CC(C)C(C)C2)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-9-7-17(8-10(9)2)14-5-4-12(11(3)16)6-13(14)15/h4-6,9-11H,7-8,16H2,1-3H3
InChIKeyBJMGCCGJSRRICV-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.45
Rot. Bonds2

About 1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine

1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 79188821) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID79188821
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2CC(C)C(C)C2)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-9-7-17(8-10(9)2)14-5-4-12(11(3)16)6-13(14)15/h4-6,9-11H,7-8,16H2,1-3H3
InChIKeyBJMGCCGJSRRICV-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]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

(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 62908663
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114237230
1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 62909542
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
(1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 104874422
(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 55190288
[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
CID 55132072
(1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 104921307

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine (CID 79188821) is 1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine is CC(N)c1ccc(N2CC(C)C(C)C2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is BJMGCCGJSRRICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-9-7-17(8-10(9)2)14-5-4-12(11(3)16)6-13(14)15/h4-6,9-11H,7-8,16H2,1-3H3.
What are the key properties of 1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine?
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 79188821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).