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

C24H22ClNO — CID 54246721

IUPAC1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
SMILESCc1c(CONC(=C2CC2)c2ccc(Cl)cc2)cccc1-c1ccccc1
InChIInChI=1S/C24H22ClNO/c1-17-21(8-5-9-23(17)18-6-3-2-4-7-18)16-27-26-24(19-10-11-19)20-12-14-22(25)15-13-20/h2-9,12-15,26H,10-11,16H2,1H3
InChIKeyQTTWZJGPFWKALR-UHFFFAOYSA-N
MW375.90 g/mol
LogP6.54
Rot. Bonds6

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

1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine (PubChem CID 54246721) has the molecular formula C24H22ClNO and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
PubChem CID54246721
Molecular FormulaC24H22ClNO
Molecular Weight375.90 g/mol
Exact Mass375.14
IUPAC Name1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
SMILESCc1c(CONC(=C2CC2)c2ccc(Cl)cc2)cccc1-c1ccccc1
InChIInChI=1S/C24H22ClNO/c1-17-21(8-5-9-23(17)18-6-3-2-4-7-18)16-27-26-24(19-10-11-19)20-12-14-22(25)15-13-20/h2-9,12-15,26H,10-11,16H2,1H3
InChIKeyQTTWZJGPFWKALR-UHFFFAOYSA-N
XLogP6.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 56.54
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
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-(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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine (CID 54246721) is 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine is Cc1c(CONC(=C2CC2)c2ccc(Cl)cc2)cccc1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
The InChIKey is QTTWZJGPFWKALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO/c1-17-21(8-5-9-23(17)18-6-3-2-4-7-18)16-27-26-24(19-10-11-19)20-12-14-22(25)15-13-20/h2-9,12-15,26H,10-11,16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine has a molecular weight of 375.90 g/mol, XLogP of 6.54, 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-methyl-3-phenylphenyl)methoxy]methanamine is sourced from PubChem (CID 54246721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).