4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline

C17H20N2O — CID 110505475

IUPAC4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
SMILESCc1ccc(N/N=C/c2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C17H20N2O/c1-13(2)20-17-6-4-5-15(11-17)12-18-19-16-9-7-14(3)8-10-16/h4-13,19H,1-3H3/b18-12+
InChIKeyLKFVYQFXSWWGBH-LDADJPATSA-N
MW268.36 g/mol
LogP4.23
Rot. Bonds5

About 4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline

4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline (PubChem CID 110505475) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
PubChem CID110505475
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
SMILESCc1ccc(N/N=C/c2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C17H20N2O/c1-13(2)20-17-6-4-5-15(11-17)12-18-19-16-9-7-14(3)8-10-16/h4-13,19H,1-3H3/b18-12+
InChIKeyLKFVYQFXSWWGBH-LDADJPATSA-N
XLogP4.23
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110504997
4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509128
4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride
CID 73242918
2-(2,4-dimethylphenyl)-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657857
[3-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate
CID 124850551
1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine
CID 126045816
4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
CID 3406513
4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline
CID 6039308
4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline
CID 110506310
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine
CID 4152799
N-[[3-(2-methoxyethoxy)phenyl]methylideneamino]aniline
CID 169382542

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline?
The IUPAC name of 4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline (CID 110505475) is 4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline?
The canonical SMILES for 4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline is Cc1ccc(N/N=C/c2cccc(OC(C)C)c2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline?
The InChIKey is LKFVYQFXSWWGBH-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(2)20-17-6-4-5-15(11-17)12-18-19-16-9-7-14(3)8-10-16/h4-13,19H,1-3H3/b18-12+.
What are the key properties of 4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline?
4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline has a molecular weight of 268.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110505475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).