2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine

C12H13ClN2 — CID 82286447

IUPAC2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine
SMILESNCCc1cccn1-c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2/c13-10-3-1-4-12(9-10)15-8-2-5-11(15)6-7-14/h1-5,8-9H,6-7,14H2
InChIKeyQWFXFICCIHGMQM-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.63
Rot. Bonds3

About 2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine

2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine (PubChem CID 82286447) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine
PubChem CID82286447
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine
SMILESNCCc1cccn1-c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2/c13-10-3-1-4-12(9-10)15-8-2-5-11(15)6-7-14/h1-5,8-9H,6-7,14H2
InChIKeyQWFXFICCIHGMQM-UHFFFAOYSA-N
XLogP2.63
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(3-chlorophenyl)pyrrol-2-yl]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

2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine
CID 82286818
2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine
CID 95459676
3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine
CID 170879074
2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine
CID 82282287
1-(3-chlorophenyl)-2-methylpyrrole
CID 70286034
2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine
CID 147131024
2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine
CID 82284564
1-(3-chlorophenyl)imidazol-2-amine
CID 106558369
2-[1-(6-methyl-2-pyridinyl)pyrrol-2-yl]ethanamine
CID 170868965
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
[1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine
CID 82286825
5-chloro-1-(3-chlorophenyl)indol-3-amine
CID 142538912

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine (CID 82286447) is 2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine is NCCc1cccn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine?
The InChIKey is QWFXFICCIHGMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c13-10-3-1-4-12(9-10)15-8-2-5-11(15)6-7-14/h1-5,8-9H,6-7,14H2.
What are the key properties of 2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine?
2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine has a molecular weight of 220.70 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 82286447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).