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

C28H31NO — CID 54287842

IUPAC1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
SMILESCc1c(CONC(=C2CC2)c2ccc(C(C)(C)C)cc2)cccc1-c1ccccc1
InChIInChI=1S/C28H31NO/c1-20-24(11-8-12-26(20)21-9-6-5-7-10-21)19-30-29-27(22-13-14-22)23-15-17-25(18-16-23)28(2,3)4/h5-12,15-18,29H,13-14,19H2,1-4H3
InChIKeyRVKNUKNIVDFUQB-UHFFFAOYSA-N
MW397.56 g/mol
LogP7.19
Rot. Bonds6

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

1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine (PubChem CID 54287842) has the molecular formula C28H31NO and a molecular weight of 397.56 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
PubChem CID54287842
Molecular FormulaC28H31NO
Molecular Weight397.56 g/mol
Exact Mass397.24
IUPAC Name1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
SMILESCc1c(CONC(=C2CC2)c2ccc(C(C)(C)C)cc2)cccc1-c1ccccc1
InChIInChI=1S/C28H31NO/c1-20-24(11-8-12-26(20)21-9-6-5-7-10-21)19-30-29-27(22-13-14-22)23-15-17-25(18-16-23)28(2,3)4/h5-12,15-18,29H,13-14,19H2,1-4H3
InChIKeyRVKNUKNIVDFUQB-UHFFFAOYSA-N
XLogP7.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 57.19
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
[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
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine (CID 54287842) is 1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine is Cc1c(CONC(=C2CC2)c2ccc(C(C)(C)C)cc2)cccc1-c1ccccc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
The InChIKey is RVKNUKNIVDFUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO/c1-20-24(11-8-12-26(20)21-9-6-5-7-10-21)19-30-29-27(22-13-14-22)23-15-17-25(18-16-23)28(2,3)4/h5-12,15-18,29H,13-14,19H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine?
1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine has a molecular weight of 397.56 g/mol, XLogP of 7.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine is sourced from PubChem (CID 54287842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).