[2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine

C11H11ClN2 — CID 103341668

IUPAC[2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2ccc[nH]2)cc1Cl
InChIInChI=1S/C11H11ClN2/c12-10-6-8(3-4-9(10)7-13)11-2-1-5-14-11/h1-6,14H,7,13H2
InChIKeyLVAZZAHKVKIMCT-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.79
Rot. Bonds2

About [2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine

[2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine (PubChem CID 103341668) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is [2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine
PubChem CID103341668
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name[2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2ccc[nH]2)cc1Cl
InChIInChI=1S/C11H11ClN2/c12-10-6-8(3-4-9(10)7-13)11-2-1-5-14-11/h1-6,14H,7,13H2
InChIKeyLVAZZAHKVKIMCT-UHFFFAOYSA-N
XLogP2.79
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine?
The IUPAC name of [2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine (CID 103341668) is [2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine?
The canonical SMILES for [2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine is NCc1ccc(-c2ccc[nH]2)cc1Cl.
What is the InChIKey of [2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine?
The InChIKey is LVAZZAHKVKIMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-10-6-8(3-4-9(10)7-13)11-2-1-5-14-11/h1-6,14H,7,13H2.
What are the key properties of [2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine?
[2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine has a molecular weight of 206.68 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine is sourced from PubChem (CID 103341668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).