1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine

C16H25ClN2 — CID 43195864

IUPAC1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
SMILESCCC(NCC1CCCN1CC)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-3-16(13-7-5-8-14(17)11-13)18-12-15-9-6-10-19(15)4-2/h5,7-8,11,15-16,18H,3-4,6,9-10,12H2,1-2H3
InChIKeyBAXDIFCNUXNSOC-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.87
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine

1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine (PubChem CID 43195864) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
PubChem CID43195864
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
SMILESCCC(NCC1CCCN1CC)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-3-16(13-7-5-8-14(17)11-13)18-12-15-9-6-10-19(15)4-2/h5,7-8,11,15-16,18H,3-4,6,9-10,12H2,1-2H3
InChIKeyBAXDIFCNUXNSOC-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
CID 43764793
1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 113260530
1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine
CID 60857454
1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 79352671
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
1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 79310280
1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine
CID 114107361
N-[1-(3-chlorophenyl)propyl]piperidin-1-amine
CID 83006471
1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
CID 43749137
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine (CID 43195864) is 1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine is CCC(NCC1CCCN1CC)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine?
The InChIKey is BAXDIFCNUXNSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-16(13-7-5-8-14(17)11-13)18-12-15-9-6-10-19(15)4-2/h5,7-8,11,15-16,18H,3-4,6,9-10,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine?
1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine has a molecular weight of 280.84 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-ethylpyrrolidin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43195864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).