(3-methylphenyl)methyl N-methylethanimidate

C11H15NO — CID 167446851

IUPAC(3-methylphenyl)methyl N-methylethanimidate
SMILESC/N=C(\C)OCc1cccc(C)c1
InChIInChI=1S/C11H15NO/c1-9-5-4-6-11(7-9)8-13-10(2)12-3/h4-7H,8H2,1-3H3/b12-10+
InChIKeyKEVIWHXIYKVVNI-ZRDIBKRKSA-N
MW177.25 g/mol
LogP2.56
Rot. Bonds2

About (3-methylphenyl)methyl N-methylethanimidate

(3-methylphenyl)methyl N-methylethanimidate (PubChem CID 167446851) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3-methylphenyl)methyl N-methylethanimidate.

Molecular Properties

Compound Name(3-methylphenyl)methyl N-methylethanimidate
PubChem CID167446851
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3-methylphenyl)methyl N-methylethanimidate
SMILESC/N=C(\C)OCc1cccc(C)c1
InChIInChI=1S/C11H15NO/c1-9-5-4-6-11(7-9)8-13-10(2)12-3/h4-7H,8H2,1-3H3/b12-10+
InChIKeyKEVIWHXIYKVVNI-ZRDIBKRKSA-N
XLogP2.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
bis[(3-methylphenyl)methyl] pentanedioate
CID 91711013
diethyl (Z)-2-hydroxy-3-[(3-methylphenyl)methoxy]but-2-enedioate
CID 156867970
2-methyl-2-[(3-methylphenyl)methoxy]propan-1-amine
CID 65053223
2-[(3-methylphenyl)methoxy]-2-oxoethanesulfonic acid
CID 158070413
(3-methylphenyl)methyl 3-hydroxybenzoate
CID 44587285
(3-methylphenyl)methyl 2-(methylamino)propanoate
CID 145274403
1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662
(3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate
CID 129081148
benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 130156986
(3-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 60730677
2-[(3-methylphenyl)methoxycarbonylamino]propanoic acid
CID 90066967

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl N-methylethanimidate?
The IUPAC name of (3-methylphenyl)methyl N-methylethanimidate (CID 167446851) is (3-methylphenyl)methyl N-methylethanimidate.
What is the SMILES notation for (3-methylphenyl)methyl N-methylethanimidate?
The canonical SMILES for (3-methylphenyl)methyl N-methylethanimidate is C/N=C(\C)OCc1cccc(C)c1.
What is the InChIKey of (3-methylphenyl)methyl N-methylethanimidate?
The InChIKey is KEVIWHXIYKVVNI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-5-4-6-11(7-9)8-13-10(2)12-3/h4-7H,8H2,1-3H3/b12-10+.
What are the key properties of (3-methylphenyl)methyl N-methylethanimidate?
(3-methylphenyl)methyl N-methylethanimidate has a molecular weight of 177.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl N-methylethanimidate is sourced from PubChem (CID 167446851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).