N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine

C17H19NO — CID 123777126

IUPACN-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine
SMILESC=C(NOCC)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C17H19NO/c1-4-19-18-14(3)15-9-11-16(12-10-15)17-8-6-5-7-13(17)2/h5-12,18H,3-4H2,1-2H3
InChIKeyXJVCQDQKQWUXFF-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.17
Rot. Bonds5

About N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine

N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine (PubChem CID 123777126) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine.

Molecular Properties

Compound NameN-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine
PubChem CID123777126
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine
SMILESC=C(NOCC)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C17H19NO/c1-4-19-18-14(3)15-9-11-16(12-10-15)17-8-6-5-7-13(17)2/h5-12,18H,3-4H2,1-2H3
InChIKeyXJVCQDQKQWUXFF-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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-(1-chloroethenyl)-4-(2-methylphenyl)benzene
CID 156825612
N-methoxy-1-(4-phenylphenyl)ethenamine
CID 57139262
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
ethyl 3-(2-methylphenyl)benzoate
CID 161279352
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
4-(2-methylphenyl)benzoyl isocyanate
CID 155691325
tert-butyl 4-(2-methylphenyl)benzoate
CID 139686014
propan-2-yl 4-(2-methylphenyl)benzoate
CID 139781479
2-methyl-1-[4-(2-methylphenyl)phenyl]propan-1-one
CID 82044354

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine?
The IUPAC name of N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine (CID 123777126) is N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine.
What is the SMILES notation for N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine?
The canonical SMILES for N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine is C=C(NOCC)c1ccc(-c2ccccc2C)cc1.
What is the InChIKey of N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine?
The InChIKey is XJVCQDQKQWUXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-4-19-18-14(3)15-9-11-16(12-10-15)17-8-6-5-7-13(17)2/h5-12,18H,3-4H2,1-2H3.
What are the key properties of N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine?
N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine has a molecular weight of 253.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine is sourced from PubChem (CID 123777126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).