2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline

C16H18N2O — CID 86638529

IUPAC2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline
SMILESCc1cc(C=NOCc2ccccc2)c(C)cc1N
InChIInChI=1S/C16H18N2O/c1-12-9-16(17)13(2)8-15(12)10-18-19-11-14-6-4-3-5-7-14/h3-10H,11,17H2,1-2H3
InChIKeyIXQZIAWMIOVYTJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.44
Rot. Bonds4

About 2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline

2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline (PubChem CID 86638529) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline
PubChem CID86638529
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline
SMILESCc1cc(C=NOCc2ccccc2)c(C)cc1N
InChIInChI=1S/C16H18N2O/c1-12-9-16(17)13(2)8-15(12)10-18-19-11-14-6-4-3-5-7-14/h3-10H,11,17H2,1-2H3
InChIKeyIXQZIAWMIOVYTJ-UHFFFAOYSA-N
XLogP3.44
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
benzyl N-[3-(4-amino-2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169471640
(E)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine
CID 88567097
1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine
CID 75859441
2-[(E)-phenylmethoxyiminomethyl]benzoic acid
CID 46567047
trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide
CID 177433206
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
CID 130381597
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097
(E)-1-(4-methoxyphenyl)-N-phenylmethoxymethanimine
CID 11499688
ethane;N-methyl-6-[(E)-phenylmethoxyiminomethyl]-1,3-benzodioxol-5-amine
CID 145492731
(E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine
CID 6905782

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline?
The IUPAC name of 2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline (CID 86638529) is 2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline.
What is the SMILES notation for 2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline?
The canonical SMILES for 2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline is Cc1cc(C=NOCc2ccccc2)c(C)cc1N.
What is the InChIKey of 2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline?
The InChIKey is IXQZIAWMIOVYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-9-16(17)13(2)8-15(12)10-18-19-11-14-6-4-3-5-7-14/h3-10H,11,17H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline?
2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline has a molecular weight of 254.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline is sourced from PubChem (CID 86638529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).