1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine

C24H21Cl2NO — CID 54202872

IUPAC1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
SMILESCc1c(CONC(=C2CC2)c2ccc(Cl)cc2Cl)cccc1-c1ccccc1
InChIInChI=1S/C24H21Cl2NO/c1-16-19(8-5-9-21(16)17-6-3-2-4-7-17)15-28-27-24(18-10-11-18)22-13-12-20(25)14-23(22)26/h2-9,12-14,27H,10-11,15H2,1H3
InChIKeyPQMCWFRQDAFTMW-UHFFFAOYSA-N
MW410.34 g/mol
LogP7.20
Rot. Bonds6

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

1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine (PubChem CID 54202872) has the molecular formula C24H21Cl2NO and a molecular weight of 410.34 g/mol. Its IUPAC name is 1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine.

Molecular Properties

Compound Name1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
PubChem CID54202872
Molecular FormulaC24H21Cl2NO
Molecular Weight410.34 g/mol
Exact Mass409.10
IUPAC Name1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
SMILESCc1c(CONC(=C2CC2)c2ccc(Cl)cc2Cl)cccc1-c1ccccc1
InChIInChI=1S/C24H21Cl2NO/c1-16-19(8-5-9-21(16)17-6-3-2-4-7-17)15-28-27-24(18-10-11-18)22-13-12-20(25)14-23(22)26/h2-9,12-14,27H,10-11,15H2,1H3
InChIKeyPQMCWFRQDAFTMW-UHFFFAOYSA-N
XLogP7.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.34
LogP ≤ 57.20
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-(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
(E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine
CID 13282537
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-(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
1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine
CID 54223524
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 54246721
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine
CID 54486785

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
The IUPAC name of 1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine (CID 54202872) is 1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine.
What is the SMILES notation for 1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
The canonical SMILES for 1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine is Cc1c(CONC(=C2CC2)c2ccc(Cl)cc2Cl)cccc1-c1ccccc1.
What is the InChIKey of 1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
The InChIKey is PQMCWFRQDAFTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO/c1-16-19(8-5-9-21(16)17-6-3-2-4-7-17)15-28-27-24(18-10-11-18)22-13-12-20(25)14-23(22)26/h2-9,12-14,27H,10-11,15H2,1H3.
What are the key properties of 1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine has a molecular weight of 410.34 g/mol, XLogP of 7.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine is sourced from PubChem (CID 54202872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).