1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone

C17H18N2O — CID 831103

IUPAC1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H18N2O/c1-13(20)15-5-4-6-16(11-15)18-12-14-7-9-17(10-8-14)19(2)3/h4-12H,1-3H3/b18-12+
InChIKeyHLQKQXMBUQLIRJ-LDADJPATSA-N
MW266.34 g/mol
LogP3.71
Rot. Bonds4

About 1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone

1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone (PubChem CID 831103) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone
PubChem CID831103
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H18N2O/c1-13(20)15-5-4-6-16(11-15)18-12-14-7-9-17(10-8-14)19(2)3/h4-12H,1-3H3/b18-12+
InChIKeyHLQKQXMBUQLIRJ-LDADJPATSA-N
XLogP3.71
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone
CID 137151967
2-[4-[(3-acetylphenyl)iminomethyl]phenoxy]propanoic acid
CID 44714907
4-[[8-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-N,N-dimethylaniline
CID 172965274
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
CID 540985
[4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone
CID 139072228
4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline
CID 1381576
1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone
CID 693758
1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone
CID 874944
1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 135595395
1-[3-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]phenyl]ethanone
CID 21177369

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone (CID 831103) is 1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone is CC(=O)c1cccc(/N=C/c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone?
The InChIKey is HLQKQXMBUQLIRJ-LDADJPATSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(20)15-5-4-6-16(11-15)18-12-14-7-9-17(10-8-14)19(2)3/h4-12H,1-3H3/b18-12+.
What are the key properties of 1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone?
1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone is sourced from PubChem (CID 831103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).