1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine

C15H23ClN2 — CID 55098305

IUPAC1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
SMILESCCC1CCCN1CCC(N)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-2-14-7-4-9-18(14)10-8-15(17)12-5-3-6-13(16)11-12/h3,5-6,11,14-15H,2,4,7-10,17H2,1H3
InChIKeyJEAWPHYMABXBKT-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.60
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine

1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine (PubChem CID 55098305) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
PubChem CID55098305
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
SMILESCCC1CCCN1CCC(N)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-2-14-7-4-9-18(14)10-8-15(17)12-5-3-6-13(16)11-12/h3,5-6,11,14-15H,2,4,7-10,17H2,1H3
InChIKeyJEAWPHYMABXBKT-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
CID 104690312
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 79310280
3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645120
1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112629124
3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62629736
1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
CID 55019306
1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62628874
1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 63972223
3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62622896
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63603993
1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886120

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine (CID 55098305) is 1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine is CCC1CCCN1CCC(N)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is JEAWPHYMABXBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-14-7-4-9-18(14)10-8-15(17)12-5-3-6-13(16)11-12/h3,5-6,11,14-15H,2,4,7-10,17H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine?
1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 55098305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).