N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine

C16H23ClN2 — CID 120842367

IUPACN-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine
SMILESCC(CN(C1CC1)C1CCNC1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-12(13-3-2-4-14(17)9-13)11-19(15-5-6-15)16-7-8-18-10-16/h2-4,9,12,15-16,18H,5-8,10-11H2,1H3
InChIKeyVQZLJTMSMAKRKD-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.27
Rot. Bonds5

About N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine

N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine (PubChem CID 120842367) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine
PubChem CID120842367
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC NameN-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine
SMILESCC(CN(C1CC1)C1CCNC1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-12(13-3-2-4-14(17)9-13)11-19(15-5-6-15)16-7-8-18-10-16/h2-4,9,12,15-16,18H,5-8,10-11H2,1H3
InChIKeyVQZLJTMSMAKRKD-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine?
The IUPAC name of N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine (CID 120842367) is N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine is CC(CN(C1CC1)C1CCNC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine?
The InChIKey is VQZLJTMSMAKRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-12(13-3-2-4-14(17)9-13)11-19(15-5-6-15)16-7-8-18-10-16/h2-4,9,12,15-16,18H,5-8,10-11H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine?
N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine has a molecular weight of 278.83 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)propyl]-N-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 120842367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).