1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine

C15H24ClN3 — CID 55159528

IUPAC1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CCC(N)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H24ClN3/c1-18(2)14-7-9-19(11-14)10-8-15(17)12-3-5-13(16)6-4-12/h3-6,14-15H,7-11,17H2,1-2H3
InChIKeyQOTSPVIDCDAKFP-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.37
Rot. Bonds5

About 1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine

1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 55159528) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID55159528
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CCC(N)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H24ClN3/c1-18(2)14-7-9-19(11-14)10-8-15(17)12-3-5-13(16)6-4-12/h3-6,14-15H,7-11,17H2,1-2H3
InChIKeyQOTSPVIDCDAKFP-UHFFFAOYSA-N
XLogP2.37
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine 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

1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164076
1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine
CID 79184683
[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol
CID 62643895
1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine
CID 62644602
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine
CID 115561907
1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521053
3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
CID 113229549
1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164252
1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645202
1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62619615
1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163944
1-(4-aminobutyl)-N,N-dimethylpyrrolidin-3-amine
CID 63166062

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine (CID 55159528) is 1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(CCC(N)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is QOTSPVIDCDAKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-18(2)14-7-9-19(11-14)10-8-15(17)12-3-5-13(16)6-4-12/h3-6,14-15H,7-11,17H2,1-2H3.
What are the key properties of 1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine?
1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 281.83 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 55159528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).