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

C26H27NO — CID 54144881

IUPAC1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
SMILESCc1ccc(C(NOCc2cccc(-c3ccccc3)c2C)=C2CC2)c(C)c1
InChIInChI=1S/C26H27NO/c1-18-12-15-24(19(2)16-18)26(22-13-14-22)27-28-17-23-10-7-11-25(20(23)3)21-8-5-4-6-9-21/h4-12,15-16,27H,13-14,17H2,1-3H3
InChIKeyODQQPBCIRGCQGR-UHFFFAOYSA-N
MW369.51 g/mol
LogP6.51
Rot. Bonds6

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

1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine (PubChem CID 54144881) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine.

Molecular Properties

Compound Name1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
PubChem CID54144881
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
SMILESCc1ccc(C(NOCc2cccc(-c3ccccc3)c2C)=C2CC2)c(C)c1
InChIInChI=1S/C26H27NO/c1-18-12-15-24(19(2)16-18)26(22-13-14-22)27-28-17-23-10-7-11-25(20(23)3)21-8-5-4-6-9-21/h4-12,15-16,27H,13-14,17H2,1-3H3
InChIKeyODQQPBCIRGCQGR-UHFFFAOYSA-N
XLogP6.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.51
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

N-Benzoxy-2-naphthalenemethanamine
CID 53308533
N-Benzoxy-1-naphthalenemethanamine
CID 53308547
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
[4-[1-[[4-Phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol
CID 90981218
2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine
CID 91090348
[4-[1-[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol
CID 91227163
N-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methoxy]-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 141168379
(Z)-1,2-diphenyl-N-(1-phenylbutoxy)ethenamine
CID 134883620
1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine
CID 134926957
(1S)-1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine
CID 10689969
1-cyclopropylidene-1-(4-ethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 53692859

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
The IUPAC name of 1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine (CID 54144881) is 1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine.
What is the SMILES notation for 1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
The canonical SMILES for 1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine is Cc1ccc(C(NOCc2cccc(-c3ccccc3)c2C)=C2CC2)c(C)c1.
What is the InChIKey of 1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
The InChIKey is ODQQPBCIRGCQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO/c1-18-12-15-24(19(2)16-18)26(22-13-14-22)27-28-17-23-10-7-11-25(20(23)3)21-8-5-4-6-9-21/h4-12,15-16,27H,13-14,17H2,1-3H3.
What are the key properties of 1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine has a molecular weight of 369.51 g/mol, XLogP of 6.51, 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-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine is sourced from PubChem (CID 54144881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).