(E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine

C18H21NO — CID 134997291

IUPAC(E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine
SMILESCC(/C=N/OCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C18H21NO/c1-16(12-13-17-8-4-2-5-9-17)14-19-20-15-18-10-6-3-7-11-18/h2-11,14,16H,12-13,15H2,1H3/b19-14+
InChIKeyQUFJNKQURQXXHN-XMHGGMMESA-N
MW267.37 g/mol
LogP4.46
Rot. Bonds7

About (E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine

(E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine (PubChem CID 134997291) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine.

Molecular Properties

Compound Name(E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine
PubChem CID134997291
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine
SMILESCC(/C=N/OCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C18H21NO/c1-16(12-13-17-8-4-2-5-9-17)14-19-20-15-18-10-6-3-7-11-18/h2-11,14,16H,12-13,15H2,1H3/b19-14+
InChIKeyQUFJNKQURQXXHN-XMHGGMMESA-N
XLogP4.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.46
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

(2-methyl-4-phenylbutylidene)-phosphanylphosphane
CID 89156817
[3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene
CID 67234615
(Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine
CID 91709819
(2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol
CID 118336506
(3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol
CID 100938616
2-phenylmethoxyiminoacetaldehyde
CID 56611193
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097
(E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine
CID 118480607
4-phenyl-N-phenylmethoxybutan-2-amine
CID 82709894
ethyl (4E)-2-ethyl-3-hydroxy-4-phenylmethoxyiminobutanoate
CID 177474730
ethyl 3-[(E)-phenylmethoxyiminomethyl]heptanoate
CID 87854885
3,4-dimethylhexylbenzene
CID 72602417

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine?
The IUPAC name of (E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine (CID 134997291) is (E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine.
What is the SMILES notation for (E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine?
The canonical SMILES for (E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine is CC(/C=N/OCc1ccccc1)CCc1ccccc1.
What is the InChIKey of (E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine?
The InChIKey is QUFJNKQURQXXHN-XMHGGMMESA-N. The full InChI is InChI=1S/C18H21NO/c1-16(12-13-17-8-4-2-5-9-17)14-19-20-15-18-10-6-3-7-11-18/h2-11,14,16H,12-13,15H2,1H3/b19-14+.
What are the key properties of (E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine?
(E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine has a molecular weight of 267.37 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine is sourced from PubChem (CID 134997291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).