2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine

C14H21NO2 — CID 139989799

IUPAC2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine
SMILESCCOC(/C=N/[C@@H](C)c1ccccc1)OCC
InChIInChI=1S/C14H21NO2/c1-4-16-14(17-5-2)11-15-12(3)13-9-7-6-8-10-13/h6-12,14H,4-5H2,1-3H3/b15-11+/t12-/m0/s1
InChIKeyGKMNSMOMOIZIDW-YGRGUWMTSA-N
MW235.33 g/mol
LogP3.22
Rot. Bonds7

About 2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine

2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine (PubChem CID 139989799) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine.

Molecular Properties

Compound Name2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine
PubChem CID139989799
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine
SMILESCCOC(/C=N/[C@@H](C)c1ccccc1)OCC
InChIInChI=1S/C14H21NO2/c1-4-16-14(17-5-2)11-15-12(3)13-9-7-6-8-10-13/h6-12,14H,4-5H2,1-3H3/b15-11+/t12-/m0/s1
InChIKeyGKMNSMOMOIZIDW-YGRGUWMTSA-N
XLogP3.22
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Acetic acid, ((1-phenylethyl)imino)-, ethyl ester, (S)-
CID 11469797
Diethyl N-benzylimidocarbonate
CID 80429
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 42642786
(S,Z)-N-((2,2-dimethyl-1,3-dioxolan-4-yl)methylene)-1-phenylmethanamine oxide
CID 2753972
Acetic acid, 2-[[(1R)-1-phenylethyl]imino]-, ethyl ester
CID 10889034
Acetic acid, [(phenylmethyl)imino]-, ethyl ester
CID 11344516
N-benzyl-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 11368337
N-benzyl-2,2-diethoxyethanimine
CID 13977689
Methyl (2Z)-{[(1R)-1-phenylethyl]imino}acetate
CID 86598924
N-[(1R)-1-phenylethyl]-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 10945271
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine
CID 10976959
N-benzyl-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine
CID 11195349

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine?
The IUPAC name of 2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine (CID 139989799) is 2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine.
What is the SMILES notation for 2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine?
The canonical SMILES for 2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine is CCOC(/C=N/[C@@H](C)c1ccccc1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine?
The InChIKey is GKMNSMOMOIZIDW-YGRGUWMTSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-16-14(17-5-2)11-15-12(3)13-9-7-6-8-10-13/h6-12,14H,4-5H2,1-3H3/b15-11+/t12-/m0/s1.
What are the key properties of 2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine?
2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine has a molecular weight of 235.33 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine is sourced from PubChem (CID 139989799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).