N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline

C17H20N2 — CID 110505055

IUPACN-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline
SMILESCCc1ccc(/C=N/Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H20N2/c1-4-15-6-8-16(9-7-15)12-18-19-17-10-5-13(2)14(3)11-17/h5-12,19H,4H2,1-3H3/b18-12+
InChIKeyJRWXRUVSCAJSJY-LDADJPATSA-N
MW252.36 g/mol
LogP4.31
Rot. Bonds4

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

N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline (PubChem CID 110505055) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline
PubChem CID110505055
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline
SMILESCCc1ccc(/C=N/Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H20N2/c1-4-15-6-8-16(9-7-15)12-18-19-17-10-5-13(2)14(3)11-17/h5-12,19H,4H2,1-3H3/b18-12+
InChIKeyJRWXRUVSCAJSJY-LDADJPATSA-N
XLogP4.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841973
N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504940
2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline
CID 5223162
N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline
CID 169382287
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethylaniline
CID 110841045
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline
CID 110841046
N-[(E)-(4-ethylphenyl)methylideneamino]formamide
CID 6903320
4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 172917579
3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840617
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840189
N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 4153256
1-[(E)-(4-ethylphenyl)methylideneamino]-3-methylthiourea
CID 7575221

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline?
The IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline (CID 110505055) is N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline.
What is the SMILES notation for N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline?
The canonical SMILES for N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline is CCc1ccc(/C=N/Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline?
The InChIKey is JRWXRUVSCAJSJY-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2/c1-4-15-6-8-16(9-7-15)12-18-19-17-10-5-13(2)14(3)11-17/h5-12,19H,4H2,1-3H3/b18-12+.
What are the key properties of N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline?
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline has a molecular weight of 252.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline is sourced from PubChem (CID 110505055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).