N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C17H25ClN2 — CID 106598999

IUPACN-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCCC(c1cccc(Cl)c1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C17H25ClN2/c1-2-17(13-5-3-6-14(18)11-13)20(16-8-9-16)12-15-7-4-10-19-15/h3,5-6,11,15-17,19H,2,4,7-10,12H2,1H3
InChIKeyIBLXUNPSEZGQGF-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.01
Rot. Bonds6

About N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 106598999) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID106598999
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC NameN-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCCC(c1cccc(Cl)c1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C17H25ClN2/c1-2-17(13-5-3-6-14(18)11-13)20(16-8-9-16)12-15-7-4-10-19-15/h3,5-6,11,15-17,19H,2,4,7-10,12H2,1H3
InChIKeyIBLXUNPSEZGQGF-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine 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-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106622440
N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599038
2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485071
N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621863
1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604524
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
N-[1-(4-methylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598998
1-(3-chlorophenyl)-2-piperidin-2-ylethanol
CID 79559914
N-[1-(3,4-dimethylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599141
N-[1-(5-fluoro-2-pyridinyl)propyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621639
2-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514159
N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599064

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 106598999) is N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is CCC(c1cccc(Cl)c1)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is IBLXUNPSEZGQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-2-17(13-5-3-6-14(18)11-13)20(16-8-9-16)12-15-7-4-10-19-15/h3,5-6,11,15-17,19H,2,4,7-10,12H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 292.85 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106598999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).