1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine

C18H25ClN2 — CID 143257526

IUPAC1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine
SMILESC=C1CCCN1C(CC)/C(=N/C)c1ccc(Cl)c(CC)c1
InChIInChI=1S/C18H25ClN2/c1-5-14-12-15(9-10-16(14)19)18(20-4)17(6-2)21-11-7-8-13(21)3/h9-10,12,17H,3,5-8,11H2,1-2,4H3/b20-18+
InChIKeyXIUZLSVQXAAUSU-CZIZESTLSA-N
MW304.87 g/mol
LogP4.71
Rot. Bonds5

About 1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine

1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine (PubChem CID 143257526) has the molecular formula C18H25ClN2 and a molecular weight of 304.87 g/mol. Its IUPAC name is 1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine.

Molecular Properties

Compound Name1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine
PubChem CID143257526
Molecular FormulaC18H25ClN2
Molecular Weight304.87 g/mol
Exact Mass304.17
IUPAC Name1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine
SMILESC=C1CCCN1C(CC)/C(=N/C)c1ccc(Cl)c(CC)c1
InChIInChI=1S/C18H25ClN2/c1-5-14-12-15(9-10-16(14)19)18(20-4)17(6-2)21-11-7-8-13(21)3/h9-10,12,17H,3,5-8,11H2,1-2,4H3/b20-18+
InChIKeyXIUZLSVQXAAUSU-CZIZESTLSA-N
XLogP4.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.87
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine?
The IUPAC name of 1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine (CID 143257526) is 1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine.
What is the SMILES notation for 1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine?
The canonical SMILES for 1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine is C=C1CCCN1C(CC)/C(=N/C)c1ccc(Cl)c(CC)c1.
What is the InChIKey of 1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine?
The InChIKey is XIUZLSVQXAAUSU-CZIZESTLSA-N. The full InChI is InChI=1S/C18H25ClN2/c1-5-14-12-15(9-10-16(14)19)18(20-4)17(6-2)21-11-7-8-13(21)3/h9-10,12,17H,3,5-8,11H2,1-2,4H3/b20-18+.
What are the key properties of 1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine?
1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine has a molecular weight of 304.87 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethylphenyl)-N-methyl-2-(2-methylidenepyrrolidin-1-yl)butan-1-imine is sourced from PubChem (CID 143257526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).