1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine

C17H25ClN2 — CID 60857454

IUPAC1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCC(NCC1CCN(C2CC2)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2/c1-2-17(14-4-3-5-15(18)10-14)19-11-13-8-9-20(12-13)16-6-7-16/h3-5,10,13,16-17,19H,2,6-9,11-12H2,1H3
InChIKeyCPWICGKPQTUAFJ-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.87
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine

1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 60857454) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID60857454
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCC(NCC1CCN(C2CC2)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2/c1-2-17(14-4-3-5-15(18)10-14)19-11-13-8-9-20(12-13)16-6-7-16/h3-5,10,13,16-17,19H,2,6-9,11-12H2,1H3
InChIKeyCPWICGKPQTUAFJ-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60857322
2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60856155
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 60857323
1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
CID 43195864
1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 79352671
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine
CID 103777374
1-(5-chlorothiophen-3-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 102976400
1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 82993503
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43094241
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60924589

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine (CID 60857454) is 1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine is CCC(NCC1CCN(C2CC2)C1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is CPWICGKPQTUAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-2-17(14-4-3-5-15(18)10-14)19-11-13-8-9-20(12-13)16-6-7-16/h3-5,10,13,16-17,19H,2,6-9,11-12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine?
1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine has a molecular weight of 292.85 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 60857454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).