2-[1-(4-methylphenyl)propylideneamino]oxyethanol

C12H17NO2 — CID 165345466

IUPAC2-[1-(4-methylphenyl)propylideneamino]oxyethanol
SMILESCCC(=NOCCO)c1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-3-12(13-15-9-8-14)11-6-4-10(2)5-7-11/h4-7,14H,3,8-9H2,1-2H3
InChIKeyLVPNOOYADGOAKB-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.12
Rot. Bonds5

About 2-[1-(4-methylphenyl)propylideneamino]oxyethanol

2-[1-(4-methylphenyl)propylideneamino]oxyethanol (PubChem CID 165345466) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)propylideneamino]oxyethanol.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)propylideneamino]oxyethanol
PubChem CID165345466
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[1-(4-methylphenyl)propylideneamino]oxyethanol
SMILESCCC(=NOCCO)c1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-3-12(13-15-9-8-14)11-6-4-10(2)5-7-11/h4-7,14H,3,8-9H2,1-2H3
InChIKeyLVPNOOYADGOAKB-UHFFFAOYSA-N
XLogP2.12
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(4-methylphenyl)propylideneamino]oxyethanol 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

N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine
CID 173205673
4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol
CID 136991359
1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
CID 173205726
(E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine
CID 173205764
2,4-dimethyl-5-[4-[1-(4-methylphenyl)propylideneamino]oxybutyl]-1,3-dioxane-2-carboxylic acid
CID 173117658
methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate
CID 88788827
N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine
CID 1471539
N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine
CID 6914257
N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine
CID 173416033
2-[2-methyl-4-[2-[(E)-1-(4-phenylphenyl)propylideneamino]oxyethylsulfanyl]phenoxy]acetic acid
CID 87833830
1-methyl-4-[3-methyl-2-[[1-(4-methylphenyl)propylideneamino]oxymethyl]phenyl]tetrazol-5-one
CID 118459385

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)propylideneamino]oxyethanol?
The IUPAC name of 2-[1-(4-methylphenyl)propylideneamino]oxyethanol (CID 165345466) is 2-[1-(4-methylphenyl)propylideneamino]oxyethanol.
What is the SMILES notation for 2-[1-(4-methylphenyl)propylideneamino]oxyethanol?
The canonical SMILES for 2-[1-(4-methylphenyl)propylideneamino]oxyethanol is CCC(=NOCCO)c1ccc(C)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)propylideneamino]oxyethanol?
The InChIKey is LVPNOOYADGOAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-12(13-15-9-8-14)11-6-4-10(2)5-7-11/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of 2-[1-(4-methylphenyl)propylideneamino]oxyethanol?
2-[1-(4-methylphenyl)propylideneamino]oxyethanol has a molecular weight of 207.27 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)propylideneamino]oxyethanol is sourced from PubChem (CID 165345466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).