1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine

C15H23ClN2 — CID 79184683

IUPAC1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine
SMILESCC1CN(CCC(N)c2ccc(Cl)cc2)CC1C
InChIInChI=1S/C15H23ClN2/c1-11-9-18(10-12(11)2)8-7-15(17)13-3-5-14(16)6-4-13/h3-6,11-12,15H,7-10,17H2,1-2H3
InChIKeyIDBBLLVWNLJKCG-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.32
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine

1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine (PubChem CID 79184683) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine
PubChem CID79184683
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine
SMILESCC1CN(CCC(N)c2ccc(Cl)cc2)CC1C
InChIInChI=1S/C15H23ClN2/c1-11-9-18(10-12(11)2)8-7-15(17)13-3-5-14(16)6-4-13/h3-6,11-12,15H,7-10,17H2,1-2H3
InChIKeyIDBBLLVWNLJKCG-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine (CID 79184683) is 1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine is CC1CN(CCC(N)c2ccc(Cl)cc2)CC1C.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is IDBBLLVWNLJKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-9-18(10-12(11)2)8-7-15(17)13-3-5-14(16)6-4-13/h3-6,11-12,15H,7-10,17H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine?
1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 79184683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).