3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline

C14H20ClN3 — CID 63168533

IUPAC3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
SMILESNc1ccc(N2CCC(N3CCCC3)C2)c(Cl)c1
InChIInChI=1S/C14H20ClN3/c15-13-9-11(16)3-4-14(13)18-8-5-12(10-18)17-6-1-2-7-17/h3-4,9,12H,1-2,5-8,10,16H2
InChIKeyKWDKHGCLXOEKDN-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.60
Rot. Bonds2

About 3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline

3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline (PubChem CID 63168533) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
PubChem CID63168533
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
SMILESNc1ccc(N2CCC(N3CCCC3)C2)c(Cl)c1
InChIInChI=1S/C14H20ClN3/c15-13-9-11(16)3-4-14(13)18-8-5-12(10-18)17-6-1-2-7-17/h3-4,9,12H,1-2,5-8,10,16H2
InChIKeyKWDKHGCLXOEKDN-UHFFFAOYSA-N
XLogP2.60
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline 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

5-chloro-4-fluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 66077256
2-(2-chloro-4-iodophenyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 107603949
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168101
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620
2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114860944
(4-amino-2-chlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168035
2-(2-chloro-4-methylphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79938997
4-[4-(azetidin-1-yl)piperidin-1-yl]-3-methylaniline
CID 142621533
4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 66099728
2-chloro-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzaldehyde
CID 63170073
[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63172008

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The IUPAC name of 3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline (CID 63168533) is 3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The canonical SMILES for 3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline is Nc1ccc(N2CCC(N3CCCC3)C2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The InChIKey is KWDKHGCLXOEKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-13-9-11(16)3-4-14(13)18-8-5-12(10-18)17-6-1-2-7-17/h3-4,9,12H,1-2,5-8,10,16H2.
What are the key properties of 3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline has a molecular weight of 265.79 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 63168533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).