(E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine

C18H21NO — CID 10849449

IUPAC(E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine
SMILESCCC[C@H](O/N=C(\C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-10-18(17-13-8-5-9-14-17)20-19-15(2)16-11-6-4-7-12-16/h4-9,11-14,18H,3,10H2,1-2H3/b19-15+/t18-/m0/s1
InChIKeyAGPMLRSBOXYUNK-CMAIMYMYSA-N
MW267.37 g/mol
LogP4.97
Rot. Bonds6

About (E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine

(E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine (PubChem CID 10849449) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine
PubChem CID10849449
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine
SMILESCCC[C@H](O/N=C(\C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-10-18(17-13-8-5-9-14-17)20-19-15(2)16-11-6-4-7-12-16/h4-9,11-14,18H,3,10H2,1-2H3/b19-15+/t18-/m0/s1
InChIKeyAGPMLRSBOXYUNK-CMAIMYMYSA-N
XLogP4.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.97
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

1-(1-phenylbutoxy)propan-2-ol
CID 139655590
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
1-pentoxybutylbenzene
CID 173061669
2-(1-phenylbutoxymethyl)phenol
CID 67179577
3-(1-phenylbutoxy)propane-1,2-diol
CID 175154206
(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
1-phenylhexyl benzoate
CID 57263824
2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
CID 139655568
3-phenylhexane-1,2-diol
CID 139772655
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
[(1S)-1-phenylpentyl] acetate
CID 12651064
CID 19876403
CID 19876403

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine?
The IUPAC name of (E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine (CID 10849449) is (E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine.
What is the SMILES notation for (E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine?
The canonical SMILES for (E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine is CCC[C@H](O/N=C(\C)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine?
The InChIKey is AGPMLRSBOXYUNK-CMAIMYMYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-10-18(17-13-8-5-9-14-17)20-19-15(2)16-11-6-4-7-12-16/h4-9,11-14,18H,3,10H2,1-2H3/b19-15+/t18-/m0/s1.
What are the key properties of (E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine?
(E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine has a molecular weight of 267.37 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine is sourced from PubChem (CID 10849449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).