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

C15H23ClN2 — CID 113418867

IUPAC1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine
SMILESCCC1CCN(CCC(N)c2ccccc2Cl)C1
InChIInChI=1S/C15H23ClN2/c1-2-12-7-9-18(11-12)10-8-15(17)13-5-3-4-6-14(13)16/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyRWKRKGYSSIJPAU-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.46
Rot. Bonds5

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

1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine (PubChem CID 113418867) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine
PubChem CID113418867
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine
SMILESCCC1CCN(CCC(N)c2ccccc2Cl)C1
InChIInChI=1S/C15H23ClN2/c1-2-12-7-9-18(11-12)10-8-15(17)13-5-3-4-6-14(13)16/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyRWKRKGYSSIJPAU-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589024
1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62643809
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62644751
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
1-benzyl-3-ethylpyrrolidine
CID 12648208
[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 113417886
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617209
1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63939293
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643869
1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596708
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 43584428

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine (CID 113418867) is 1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine is CCC1CCN(CCC(N)c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is RWKRKGYSSIJPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-12-7-9-18(11-12)10-8-15(17)13-5-3-4-6-14(13)16/h3-6,12,15H,2,7-11,17H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine?
1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 113418867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).