N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine

C16H18N2O — CID 137318860

IUPACN-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine
SMILESCOc1ccc(C(C)=NNCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-13(15-8-10-16(19-2)11-9-15)18-17-12-14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3
InChIKeyDSKBCOUBASFQFH-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.21
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine

N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine (PubChem CID 137318860) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine
PubChem CID137318860
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine
SMILESCOc1ccc(C(C)=NNCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-13(15-8-10-16(19-2)11-9-15)18-17-12-14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3
InChIKeyDSKBCOUBASFQFH-UHFFFAOYSA-N
XLogP3.21
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine
CID 99945129
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(4-phenoxyphenyl)ethylideneamino]methanamine
CID 133169350
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245826
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 99945117
(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine
CID 5413986
1-benzyl-3-[(Z)-1-(3-methoxyphenyl)ethylideneamino]thiourea
CID 7933855
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine (CID 137318860) is N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine is COc1ccc(C(C)=NNCc2ccccc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine?
The InChIKey is DSKBCOUBASFQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13(15-8-10-16(19-2)11-9-15)18-17-12-14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine?
N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine has a molecular weight of 254.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 137318860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).