(E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine

C19H23NO2 — CID 134875010

IUPAC(E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine
SMILESCCC[C@@H](O/N=C/COCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-9-19(18-12-7-4-8-13-18)22-20-14-15-21-16-17-10-5-3-6-11-17/h3-8,10-14,19H,2,9,15-16H2,1H3/b20-14+/t19-/m1/s1
InChIKeyDHWSDTGOXLXWER-YFQSIASUSA-N
MW297.40 g/mol
LogP4.75
Rot. Bonds9

About (E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine

(E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine (PubChem CID 134875010) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine.

Molecular Properties

Compound Name(E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine
PubChem CID134875010
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine
SMILESCCC[C@@H](O/N=C/COCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-9-19(18-12-7-4-8-13-18)22-20-14-15-21-16-17-10-5-3-6-11-17/h3-8,10-14,19H,2,9,15-16H2,1H3/b20-14+/t19-/m1/s1
InChIKeyDHWSDTGOXLXWER-YFQSIASUSA-N
XLogP4.75
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.75
H-Bond Donors ≤ 50
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'}

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Related Compounds

Bis(1-phenylethyl) ether
CID 62342
Amoxydramine
CID 65618
[(2S,3S,6R)-3-[(Z)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol
CID 16758487
(E)-2-(4-benzylphenoxy)-N-butan-2-yloxyethanimine
CID 76308833
(E)-2-(4-benzylphenoxy)-N-propan-2-yloxyethanimine
CID 76323387
Ethylamine, 2-(diphenylmethoxy)-N-(ethoxymethylene)-
CID 58344
(Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine
CID 45269527
(Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine
CID 45272918
1-(1-Phenylpropoxy)propylbenzene
CID 458093
N-benzyl-2-phenylmethoxyethanimine oxide
CID 11832006
N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine
CID 6518396
[(2R,3S,6R)-3-acetyloxy-6-[2-[(E)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 9556094

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine?
The IUPAC name of (E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine (CID 134875010) is (E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine.
What is the SMILES notation for (E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine?
The canonical SMILES for (E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine is CCC[C@@H](O/N=C/COCc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine?
The InChIKey is DHWSDTGOXLXWER-YFQSIASUSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-9-19(18-12-7-4-8-13-18)22-20-14-15-21-16-17-10-5-3-6-11-17/h3-8,10-14,19H,2,9,15-16H2,1H3/b20-14+/t19-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine?
(E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine has a molecular weight of 297.40 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine is sourced from PubChem (CID 134875010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).