(E)-3-methyl-N-phenylmethoxybutan-2-imine

C12H17NO — CID 89386199

IUPAC(E)-3-methyl-N-phenylmethoxybutan-2-imine
SMILESC/C(=N\OCc1ccccc1)C(C)C
InChIInChI=1S/C12H17NO/c1-10(2)11(3)13-14-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3/b13-11+
InChIKeyBCJKRJRZVQYCGB-ACCUITESSA-N
MW191.27 g/mol
LogP3.24
Rot. Bonds4

About (E)-3-methyl-N-phenylmethoxybutan-2-imine

(E)-3-methyl-N-phenylmethoxybutan-2-imine (PubChem CID 89386199) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (E)-3-methyl-N-phenylmethoxybutan-2-imine.

Molecular Properties

Compound Name(E)-3-methyl-N-phenylmethoxybutan-2-imine
PubChem CID89386199
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(E)-3-methyl-N-phenylmethoxybutan-2-imine
SMILESC/C(=N\OCc1ccccc1)C(C)C
InChIInChI=1S/C12H17NO/c1-10(2)11(3)13-14-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3/b13-11+
InChIKeyBCJKRJRZVQYCGB-ACCUITESSA-N
XLogP3.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(Z)-2-methyl-N-phenylmethoxypentan-3-imine
CID 155206279
(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol
CID 11172393
(2E)-2-phenylmethoxyiminobutane-1,3-diol
CID 11138334
(E)-1-cyclopropyl-N-phenylmethoxyethanimine
CID 163358834
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
CID 87328837
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
methyl (2Z)-3-oxo-2-phenylmethoxyiminobutanoate
CID 10868261
N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435
2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide
CID 11346261
1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783
4-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]benzonitrile
CID 46566994

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-phenylmethoxybutan-2-imine?
The IUPAC name of (E)-3-methyl-N-phenylmethoxybutan-2-imine (CID 89386199) is (E)-3-methyl-N-phenylmethoxybutan-2-imine.
What is the SMILES notation for (E)-3-methyl-N-phenylmethoxybutan-2-imine?
The canonical SMILES for (E)-3-methyl-N-phenylmethoxybutan-2-imine is C/C(=N\OCc1ccccc1)C(C)C.
What is the InChIKey of (E)-3-methyl-N-phenylmethoxybutan-2-imine?
The InChIKey is BCJKRJRZVQYCGB-ACCUITESSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(2)11(3)13-14-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3/b13-11+.
What are the key properties of (E)-3-methyl-N-phenylmethoxybutan-2-imine?
(E)-3-methyl-N-phenylmethoxybutan-2-imine has a molecular weight of 191.27 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-phenylmethoxybutan-2-imine is sourced from PubChem (CID 89386199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).