1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine

C24H24ClNO — CID 54060641

IUPAC1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine
SMILESCC(C)=C(NOCc1cccc(-c2ccccc2)c1C)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClNO/c1-17(2)24(20-12-14-22(25)15-13-20)26-27-16-21-10-7-11-23(18(21)3)19-8-5-4-6-9-19/h4-15,26H,16H2,1-3H3
InChIKeyLZLJLFRJQQYSGM-UHFFFAOYSA-N
MW377.92 g/mol
LogP6.79
Rot. Bonds6

About 1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine

1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine (PubChem CID 54060641) has the molecular formula C24H24ClNO and a molecular weight of 377.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine
PubChem CID54060641
Molecular FormulaC24H24ClNO
Molecular Weight377.92 g/mol
Exact Mass377.15
IUPAC Name1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine
SMILESCC(C)=C(NOCc1cccc(-c2ccccc2)c1C)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClNO/c1-17(2)24(20-12-14-22(25)15-13-20)26-27-16-21-10-7-11-23(18(21)3)19-8-5-4-6-9-19/h4-15,26H,16H2,1-3H3
InChIKeyLZLJLFRJQQYSGM-UHFFFAOYSA-N
XLogP6.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
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-dimethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91137395
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)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine (CID 54060641) is 1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine is CC(C)=C(NOCc1cccc(-c2ccccc2)c1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine?
The InChIKey is LZLJLFRJQQYSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO/c1-17(2)24(20-12-14-22(25)15-13-20)26-27-16-21-10-7-11-23(18(21)3)19-8-5-4-6-9-19/h4-15,26H,16H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine?
1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine has a molecular weight of 377.92 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine is sourced from PubChem (CID 54060641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).