N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline

C18H23N3O — CID 5387946

IUPACN-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline
SMILESCOc1ccc(N/N=C(/CCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H23N3O/c1-21(2)14-13-18(15-7-5-4-6-8-15)20-19-16-9-11-17(22-3)12-10-16/h4-12,19H,13-14H2,1-3H3/b20-18-
InChIKeyNVVCXRYJHHOTJE-ZZEZOPTASA-N
MW297.40 g/mol
LogP3.46
Rot. Bonds7

About N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline

N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline (PubChem CID 5387946) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline
PubChem CID5387946
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline
SMILESCOc1ccc(N/N=C(/CCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H23N3O/c1-21(2)14-13-18(15-7-5-4-6-8-15)20-19-16-9-11-17(22-3)12-10-16/h4-12,19H,13-14H2,1-3H3/b20-18-
InChIKeyNVVCXRYJHHOTJE-ZZEZOPTASA-N
XLogP3.46
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-methoxyphenyl)hydrazinylidene]-2-phenylethanol
CID 88811907
N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline
CID 6520440
2-fluoro-N'-(4-methoxyanilino)ethanimidamide
CID 141071523
4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide
CID 124926686
N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
CID 6005812
4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid
CID 131854983
2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
CID 3467394
N-[(Z)-[(Z)-5-(dimethylamino)-1-phenylpent-1-en-3-ylidene]amino]aniline
CID 92530730
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline
CID 45146558
N-[(2-amino-1-phenylethylidene)amino]aniline
CID 88823119

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline?
The IUPAC name of N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline (CID 5387946) is N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline.
What is the SMILES notation for N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline?
The canonical SMILES for N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline is COc1ccc(N/N=C(/CCN(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline?
The InChIKey is NVVCXRYJHHOTJE-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H23N3O/c1-21(2)14-13-18(15-7-5-4-6-8-15)20-19-16-9-11-17(22-3)12-10-16/h4-12,19H,13-14H2,1-3H3/b20-18-.
What are the key properties of N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline?
N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline has a molecular weight of 297.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline is sourced from PubChem (CID 5387946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).