1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine

C17H19NO — CID 57279981

IUPAC1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine
SMILESC=C(NOCc1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C17H19NO/c1-13-9-10-14(2)17(11-13)15(3)18-19-12-16-7-5-4-6-8-16/h4-11,18H,3,12H2,1-2H3
InChIKeyMFUPAIHLRUWLEV-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.00
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine

1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine (PubChem CID 57279981) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine
PubChem CID57279981
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine
SMILESC=C(NOCc1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C17H19NO/c1-13-9-10-14(2)17(11-13)15(3)18-19-12-16-7-5-4-6-8-16/h4-11,18H,3,12H2,1-2H3
InChIKeyMFUPAIHLRUWLEV-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.00
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
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxyethenamine
CID 57100784
1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine
CID 90825807
5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90892788
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine
CID 90926595
5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90940837
1-(4-fluorophenyl)-N-phenylmethoxybut-1-en-1-amine
CID 90954616
3-(4-methylphenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90967530
[4-[1-[[4-Phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol
CID 90981218
5-(3,5-diethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91004451

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine (CID 57279981) is 1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine is C=C(NOCc1ccccc1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine?
The InChIKey is MFUPAIHLRUWLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-9-10-14(2)17(11-13)15(3)18-19-12-16-7-5-4-6-8-16/h4-11,18H,3,12H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine?
1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine has a molecular weight of 253.34 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine is sourced from PubChem (CID 57279981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).