4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline

C16H18N2O — CID 3748752

IUPAC4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
SMILESCOc1ccc(/C=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-18(2)15-8-6-14(7-9-15)17-12-13-4-10-16(19-3)11-5-13/h4-12H,1-3H3/b17-12+
InChIKeyNICMXTVXEIRAHB-SFQUDFHCSA-N
MW254.33 g/mol
LogP3.51
Rot. Bonds4

About 4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline

4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline (PubChem CID 3748752) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
PubChem CID3748752
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
SMILESCOc1ccc(/C=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-18(2)15-8-6-14(7-9-15)17-12-13-4-10-16(19-3)11-5-13/h4-12H,1-3H3/b17-12+
InChIKeyNICMXTVXEIRAHB-SFQUDFHCSA-N
XLogP3.51
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
CID 102305273
4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline
CID 102311282
4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline
CID 50855638
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821
(NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine
CID 134612915
1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-(dimethylamino)benzoate
CID 102305243
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline
CID 682583
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde
CID 145351672

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline?
The IUPAC name of 4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline (CID 3748752) is 4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline?
The canonical SMILES for 4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline is COc1ccc(/C=N/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline?
The InChIKey is NICMXTVXEIRAHB-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18(2)15-8-6-14(7-9-15)17-12-13-4-10-16(19-3)11-5-13/h4-12H,1-3H3/b17-12+.
What are the key properties of 4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline?
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline has a molecular weight of 254.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline is sourced from PubChem (CID 3748752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).