2-pyrrolidin-3-ylaniline;dihydrochloride

C10H16Cl2N2 — CID 139593328

IUPAC2-pyrrolidin-3-ylaniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C1CCNC1
InChIInChI=1S/C10H14N2.2ClH/c11-10-4-2-1-3-9(10)8-5-6-12-7-8;;/h1-4,8,12H,5-7,11H2;2*1H
InChIKeyBEBVPCDHBDZVRZ-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.19
Rot. Bonds1

About 2-pyrrolidin-3-ylaniline;dihydrochloride

2-pyrrolidin-3-ylaniline;dihydrochloride (PubChem CID 139593328) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylaniline;dihydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-3-ylaniline;dihydrochloride
PubChem CID139593328
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC Name2-pyrrolidin-3-ylaniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C1CCNC1
InChIInChI=1S/C10H14N2.2ClH/c11-10-4-2-1-3-9(10)8-5-6-12-7-8;;/h1-4,8,12H,5-7,11H2;2*1H
InChIKeyBEBVPCDHBDZVRZ-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-pyrrolidin-3-ylaniline;dihydrochloride 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-amino-3-pyrrolidin-3-ylphenol
CID 117103712
3-pyrrolidin-3-ylpyridin-2-amine;hydrochloride
CID 153387419
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
4-methyl-2-[(3S)-pyrrolidin-3-yl]aniline
CID 130706409
5-bromo-2-pyrrolidin-3-ylaniline
CID 117103702
2-chloro-6-pyrrolidin-3-ylaniline
CID 117103718
3-amino-2-pyrrolidin-3-ylphenol
CID 117103671
3-[2-(fluoromethyl)phenyl]pyrrolidine
CID 84657076
2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline
CID 117103696
3-bromo-2-pyrrolidin-3-ylaniline
CID 117103675
3-[2-(oxolan-3-yl)phenyl]pyrrolidine
CID 83836153
2-methoxy-3-piperidin-3-ylaniline
CID 174616983

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylaniline;dihydrochloride?
The IUPAC name of 2-pyrrolidin-3-ylaniline;dihydrochloride (CID 139593328) is 2-pyrrolidin-3-ylaniline;dihydrochloride.
What is the SMILES notation for 2-pyrrolidin-3-ylaniline;dihydrochloride?
The canonical SMILES for 2-pyrrolidin-3-ylaniline;dihydrochloride is Cl.Cl.Nc1ccccc1C1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylaniline;dihydrochloride?
The InChIKey is BEBVPCDHBDZVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.2ClH/c11-10-4-2-1-3-9(10)8-5-6-12-7-8;;/h1-4,8,12H,5-7,11H2;2*1H.
What are the key properties of 2-pyrrolidin-3-ylaniline;dihydrochloride?
2-pyrrolidin-3-ylaniline;dihydrochloride has a molecular weight of 235.16 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylaniline;dihydrochloride is sourced from PubChem (CID 139593328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).