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

C27H29NO — CID 54042432

IUPAC1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine
SMILESCc1c(CONC(=C2CC2)c2ccc(C(C)C)cc2)cccc1-c1ccccc1
InChIInChI=1S/C27H29NO/c1-19(2)21-12-14-23(15-13-21)27(24-16-17-24)28-29-18-25-10-7-11-26(20(25)3)22-8-5-4-6-9-22/h4-15,19,28H,16-18H2,1-3H3
InChIKeyLNGYZNKJZKRXDL-UHFFFAOYSA-N
MW383.54 g/mol
LogP7.01
Rot. Bonds7

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

1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 54042432) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine
PubChem CID54042432
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine
SMILESCc1c(CONC(=C2CC2)c2ccc(C(C)C)cc2)cccc1-c1ccccc1
InChIInChI=1S/C27H29NO/c1-19(2)21-12-14-23(15-13-21)27(24-16-17-24)28-29-18-25-10-7-11-26(20(25)3)22-8-5-4-6-9-22/h4-15,19,28H,16-18H2,1-3H3
InChIKeyLNGYZNKJZKRXDL-UHFFFAOYSA-N
XLogP7.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 57.01
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
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
3-fluoro-N-[[2-(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)phenyl]methoxy]aniline
CID 150782667
(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
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,6-dimethyl-3-phenylphenyl)methoxy]methanamine
CID 53836411

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine (CID 54042432) is 1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine is Cc1c(CONC(=C2CC2)c2ccc(C(C)C)cc2)cccc1-c1ccccc1.
What is the InChIKey of 1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is LNGYZNKJZKRXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-19(2)21-12-14-23(15-13-21)27(24-16-17-24)28-29-18-25-10-7-11-26(20(25)3)22-8-5-4-6-9-22/h4-15,19,28H,16-18H2,1-3H3.
What are the key properties of 1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine?
1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 383.54 g/mol, XLogP of 7.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 54042432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).