1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine

C25H24ClNO — CID 54486785

IUPAC1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine
SMILESCc1ccc(CONC(=C2CC2)c2ccc(Cl)cc2)c(C)c1-c1ccccc1
InChIInChI=1S/C25H24ClNO/c1-17-8-9-22(18(2)24(17)19-6-4-3-5-7-19)16-28-27-25(20-10-11-20)21-12-14-23(26)15-13-21/h3-9,12-15,27H,10-11,16H2,1-2H3
InChIKeyXSWKGVRWKQDWPY-UHFFFAOYSA-N
MW389.93 g/mol
LogP6.85
Rot. Bonds6

About 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine

1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine (PubChem CID 54486785) has the molecular formula C25H24ClNO and a molecular weight of 389.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine
PubChem CID54486785
Molecular FormulaC25H24ClNO
Molecular Weight389.93 g/mol
Exact Mass389.15
IUPAC Name1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine
SMILESCc1ccc(CONC(=C2CC2)c2ccc(Cl)cc2)c(C)c1-c1ccccc1
InChIInChI=1S/C25H24ClNO/c1-17-8-9-22(18(2)24(17)19-6-4-3-5-7-19)16-28-27-25(20-10-11-20)21-12-14-23(26)15-13-21/h3-9,12-15,27H,10-11,16H2,1-2H3
InChIKeyXSWKGVRWKQDWPY-UHFFFAOYSA-N
XLogP6.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 56.85
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-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53737594
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
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-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine
CID 54042841
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)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine (CID 54486785) is 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine is Cc1ccc(CONC(=C2CC2)c2ccc(Cl)cc2)c(C)c1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine?
The InChIKey is XSWKGVRWKQDWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO/c1-17-8-9-22(18(2)24(17)19-6-4-3-5-7-19)16-28-27-25(20-10-11-20)21-12-14-23(26)15-13-21/h3-9,12-15,27H,10-11,16H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine?
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine has a molecular weight of 389.93 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine is sourced from PubChem (CID 54486785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).