4-chloro-2-pyrrolidin-1-ylaniline

C10H13ClN2 — CID 58812033

IUPAC4-chloro-2-pyrrolidin-1-ylaniline
SMILESNc1ccc(Cl)cc1N1CCCC1
InChIInChI=1S/C10H13ClN2/c11-8-3-4-9(12)10(7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKeyKZRMVSTVZRWELM-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.52
Rot. Bonds1

About 4-chloro-2-pyrrolidin-1-ylaniline

4-chloro-2-pyrrolidin-1-ylaniline (PubChem CID 58812033) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 4-chloro-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name4-chloro-2-pyrrolidin-1-ylaniline
PubChem CID58812033
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name4-chloro-2-pyrrolidin-1-ylaniline
SMILESNc1ccc(Cl)cc1N1CCCC1
InChIInChI=1S/C10H13ClN2/c11-8-3-4-9(12)10(7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKeyKZRMVSTVZRWELM-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-chloro-2-pyrrolidin-1-ylaniline 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-(azepan-1-yl)-4-chloroaniline
CID 79688976
4-chloro-2-(4-methyl-1,4-diazepan-1-yl)aniline
CID 115468464
4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline
CID 115468950
4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline
CID 79688977
1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol
CID 106667619
4-methyl-2-pyrrolidin-1-ylaniline
CID 66998612
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085
2-(azocan-1-yl)-4-chlorobenzenecarbothioamide
CID 63082355
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine
CID 59540946
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-chloroaniline
CID 113315828
4-chloro-2-[(3R)-3-methylpiperazin-1-yl]aniline
CID 21034047

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyrrolidin-1-ylaniline?
The IUPAC name of 4-chloro-2-pyrrolidin-1-ylaniline (CID 58812033) is 4-chloro-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for 4-chloro-2-pyrrolidin-1-ylaniline?
The canonical SMILES for 4-chloro-2-pyrrolidin-1-ylaniline is Nc1ccc(Cl)cc1N1CCCC1.
What is the InChIKey of 4-chloro-2-pyrrolidin-1-ylaniline?
The InChIKey is KZRMVSTVZRWELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-8-3-4-9(12)10(7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2.
What are the key properties of 4-chloro-2-pyrrolidin-1-ylaniline?
4-chloro-2-pyrrolidin-1-ylaniline has a molecular weight of 196.68 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 58812033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).