4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline

C17H20N2O — CID 110505467

IUPAC4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1ccc(/C=N/Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-3-12-20-17-10-6-15(7-11-17)13-18-19-16-8-4-14(2)5-9-16/h4-11,13,19H,3,12H2,1-2H3/b18-13+
InChIKeyBLKLKJQBBHMGQB-QGOAFFKASA-N
MW268.36 g/mol
LogP4.23
Rot. Bonds6

About 4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline

4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline (PubChem CID 110505467) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
PubChem CID110505467
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1ccc(/C=N/Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-3-12-20-17-10-6-15(7-11-17)13-18-19-16-8-4-14(2)5-9-16/h4-11,13,19H,3,12H2,1-2H3/b18-13+
InChIKeyBLKLKJQBBHMGQB-QGOAFFKASA-N
XLogP4.23
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8896208
N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505514
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505430
N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110840934
2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110839992
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
[(E)-(4-propoxyphenyl)methylideneamino]thiourea
CID 6881283

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline?
The IUPAC name of 4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline (CID 110505467) is 4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline is CCCOc1ccc(/C=N/Nc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline?
The InChIKey is BLKLKJQBBHMGQB-QGOAFFKASA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-12-20-17-10-6-15(7-11-17)13-18-19-16-8-4-14(2)5-9-16/h4-11,13,19H,3,12H2,1-2H3/b18-13+.
What are the key properties of 4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline?
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline has a molecular weight of 268.36 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110505467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).