1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine

C25H24ClNO — CID 54042841

IUPAC1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine
SMILESCc1c(CONC(=CC2CC2)c2ccc(Cl)cc2)cccc1-c1ccccc1
InChIInChI=1S/C25H24ClNO/c1-18-22(8-5-9-24(18)20-6-3-2-4-7-20)17-28-27-25(16-19-10-11-19)21-12-14-23(26)15-13-21/h2-9,12-16,19,27H,10-11,17H2,1H3
InChIKeyLNNZAJWVJDIRMT-UHFFFAOYSA-N
MW389.93 g/mol
LogP6.79
Rot. Bonds7

About 1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine

1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine (PubChem CID 54042841) has the molecular formula C25H24ClNO and a molecular weight of 389.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine
PubChem CID54042841
Molecular FormulaC25H24ClNO
Molecular Weight389.93 g/mol
Exact Mass389.15
IUPAC Name1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine
SMILESCc1c(CONC(=CC2CC2)c2ccc(Cl)cc2)cccc1-c1ccccc1
InChIInChI=1S/C25H24ClNO/c1-18-22(8-5-9-24(18)20-6-3-2-4-7-20)17-28-27-25(16-19-10-11-19)21-12-14-23(26)15-13-21/h2-9,12-16,19,27H,10-11,17H2,1H3
InChIKeyLNNZAJWVJDIRMT-UHFFFAOYSA-N
XLogP6.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropylidene-1-(4-fluorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 53912762
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine
CID 54207928
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine
CID 54494996
3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90718944
3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91478404
Methanone, (4-chlorophenyl)cyclopropyl-, O-[(2-methyl[1,1'-biphenyl]-3-yl)methyl]oxime, (1E)-
CID 163360592
1-cyclopropylidene-1-(4-ethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 53692859
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,6-dimethyl-3-phenylphenyl)methoxy]methanamine
CID 53836411
1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine
CID 54042432
1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-phenylmethanamine
CID 54058027
1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine
CID 54060641
1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 54144881

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine?
The IUPAC name of 1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine (CID 54042841) is 1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine is Cc1c(CONC(=CC2CC2)c2ccc(Cl)cc2)cccc1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine?
The InChIKey is LNNZAJWVJDIRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO/c1-18-22(8-5-9-24(18)20-6-3-2-4-7-20)17-28-27-25(16-19-10-11-19)21-12-14-23(26)15-13-21/h2-9,12-16,19,27H,10-11,17H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine?
1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine has a molecular weight of 389.93 g/mol, XLogP of 6.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine is sourced from PubChem (CID 54042841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).