2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine

C16H23ClN2 — CID 43830886

IUPAC2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine
SMILESC=C(C)CC(N)(CN1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2/c1-13(2)11-16(18,12-19-9-3-4-10-19)14-5-7-15(17)8-6-14/h5-8H,1,3-4,9-12,18H2,2H3
InChIKeyXSMPYNCHPZOLIT-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.56
Rot. Bonds5

About 2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine

2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine (PubChem CID 43830886) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine
PubChem CID43830886
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine
SMILESC=C(C)CC(N)(CN1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2/c1-13(2)11-16(18,12-19-9-3-4-10-19)14-5-7-15(17)8-6-14/h5-8H,1,3-4,9-12,18H2,2H3
InChIKeyXSMPYNCHPZOLIT-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine (CID 43830886) is 2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine is C=C(C)CC(N)(CN1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine?
The InChIKey is XSMPYNCHPZOLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-13(2)11-16(18,12-19-9-3-4-10-19)14-5-7-15(17)8-6-14/h5-8H,1,3-4,9-12,18H2,2H3.
What are the key properties of 2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine?
2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine has a molecular weight of 278.83 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine is sourced from PubChem (CID 43830886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).