4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline

C16H18N2O — CID 139243965

IUPAC4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
SMILESCOc1cccc(/C=N/c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H18N2O/c1-18(2)15-9-7-14(8-10-15)17-12-13-5-4-6-16(11-13)19-3/h4-12H,1-3H3/b17-12+
InChIKeyANYKCCLYGWBFNF-SFQUDFHCSA-N
MW254.33 g/mol
LogP3.51
Rot. Bonds4

About 4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline

4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline (PubChem CID 139243965) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
PubChem CID139243965
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
SMILESCOc1cccc(/C=N/c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H18N2O/c1-18(2)15-9-7-14(8-10-15)17-12-13-5-4-6-16(11-13)19-3/h4-12H,1-3H3/b17-12+
InChIKeyANYKCCLYGWBFNF-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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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline?
The IUPAC name of 4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline (CID 139243965) is 4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline?
The canonical SMILES for 4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline is COc1cccc(/C=N/c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline?
The InChIKey is ANYKCCLYGWBFNF-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18(2)15-9-7-14(8-10-15)17-12-13-5-4-6-16(11-13)19-3/h4-12H,1-3H3/b17-12+.
What are the key properties of 4-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline?
4-[(3-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-[(3-methoxyphenyl)methylideneamino]-N,N-dimethylaniline is sourced from PubChem (CID 139243965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).