1-(3-methoxy-4-methylphenyl)ethanimine

C10H13NO — CID 142083574

IUPAC1-(3-methoxy-4-methylphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(C)c(OC)c1
InChIInChI=1S/C10H13NO/c1-7-4-5-9(8(2)11)6-10(7)12-3/h4-6,11H,1-3H3/b11-8+
InChIKeyGOEVVDJUWBSEGD-DHZHZOJOSA-N
MW163.22 g/mol
LogP2.39
Rot. Bonds2

About 1-(3-methoxy-4-methylphenyl)ethanimine

1-(3-methoxy-4-methylphenyl)ethanimine (PubChem CID 142083574) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)ethanimine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)ethanimine
PubChem CID142083574
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(3-methoxy-4-methylphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(C)c(OC)c1
InChIInChI=1S/C10H13NO/c1-7-4-5-9(8(2)11)6-10(7)12-3/h4-6,11H,1-3H3/b11-8+
InChIKeyGOEVVDJUWBSEGD-DHZHZOJOSA-N
XLogP2.39
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethanimidoyl-2-methoxyphenyl)ethanone
CID 142132476
amino 3-methoxy-4-methylbenzoate
CID 175307316
1-(3-methoxy-4-methylphenyl)-N-methylethenamine
CID 143056515
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
(5-bromothiophen-2-yl)-(3-methoxy-4-methylphenyl)methanone
CID 61103194
2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone
CID 143258810
1-(4-methylphenyl)ethanimine;hydrochloride
CID 131845076
1-(4,5-dimethyl-2-pyridinyl)ethanimine
CID 144541675
1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine
CID 143554696
4-[1-(3-methoxy-4-methylphenyl)ethenyl]benzenethiol
CID 166858262
(E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid
CID 57379628
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)ethanimine?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)ethanimine (CID 142083574) is 1-(3-methoxy-4-methylphenyl)ethanimine.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)ethanimine?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)ethanimine is [H]/N=C(\C)c1ccc(C)c(OC)c1.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)ethanimine?
The InChIKey is GOEVVDJUWBSEGD-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-4-5-9(8(2)11)6-10(7)12-3/h4-6,11H,1-3H3/b11-8+.
What are the key properties of 1-(3-methoxy-4-methylphenyl)ethanimine?
1-(3-methoxy-4-methylphenyl)ethanimine has a molecular weight of 163.22 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)ethanimine is sourced from PubChem (CID 142083574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).