2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline

C16H18N2O — CID 6242685

IUPAC2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline
SMILESCC/C(=N\Nc1ccccc1OC)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-3-14(13-9-5-4-6-10-13)17-18-15-11-7-8-12-16(15)19-2/h4-12,18H,3H2,1-2H3/b17-14+
InChIKeyQJMWEHGDRVLTGD-SAPNQHFASA-N
MW254.33 g/mol
LogP3.92
Rot. Bonds5

About 2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline

2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline (PubChem CID 6242685) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline.

Molecular Properties

Compound Name2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline
PubChem CID6242685
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline
SMILESCC/C(=N\Nc1ccccc1OC)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-3-14(13-9-5-4-6-10-13)17-18-15-11-7-8-12-16(15)19-2/h4-12,18H,3H2,1-2H3/b17-14+
InChIKeyQJMWEHGDRVLTGD-SAPNQHFASA-N
XLogP3.92
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 ≤ 53.92
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

2-methoxy-N-(1-phenylpropylideneamino)aniline
CID 4990913
2-methoxy-N-(pentan-3-ylideneamino)aniline
CID 154461263
N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide
CID 6034251
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
2-nitro-N-[(E)-1-phenylpropylideneamino]aniline
CID 6132206
ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397
1-(3,4-dimethoxyphenyl)-3-[(Z)-1-phenylpropylideneamino]thiourea
CID 9216358
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099
N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine
CID 122659216
2-[4-[(Z)-N-(2-chloroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid
CID 9070034
2-[(2Z)-2-[1-[4-(difluoromethoxy)phenyl]propylidene]hydrazinyl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 6517103

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline?
The IUPAC name of 2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline (CID 6242685) is 2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline.
What is the SMILES notation for 2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline?
The canonical SMILES for 2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline is CC/C(=N\Nc1ccccc1OC)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline?
The InChIKey is QJMWEHGDRVLTGD-SAPNQHFASA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-14(13-9-5-4-6-10-13)17-18-15-11-7-8-12-16(15)19-2/h4-12,18H,3H2,1-2H3/b17-14+.
What are the key properties of 2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline?
2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline has a molecular weight of 254.33 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline is sourced from PubChem (CID 6242685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).