2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine

C12H17NO2 — CID 139989801

IUPAC2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine
SMILESCOC(/C=N/[C@H](C)c1ccccc1)OC
InChIInChI=1S/C12H17NO2/c1-10(11-7-5-4-6-8-11)13-9-12(14-2)15-3/h4-10,12H,1-3H3/b13-9+/t10-/m1/s1
InChIKeyBBXIWRCTYUYRFH-QQMDNXKGSA-N
MW207.27 g/mol
LogP2.44
Rot. Bonds5

About 2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine

2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine (PubChem CID 139989801) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine
PubChem CID139989801
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine
SMILESCOC(/C=N/[C@H](C)c1ccccc1)OC
InChIInChI=1S/C12H17NO2/c1-10(11-7-5-4-6-8-11)13-9-12(14-2)15-3/h4-10,12H,1-3H3/b13-9+/t10-/m1/s1
InChIKeyBBXIWRCTYUYRFH-QQMDNXKGSA-N
XLogP2.44
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.44
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
Acetic acid, 2-[[(1R)-1-phenylethyl]imino]-, ethyl ester
CID 10889034
N-benzyl-1,1-dimethoxymethanimine
CID 12683291
N-benzyl-2,2-diethoxyethanimine
CID 13977689
N-(methoxy-2-propylidene)benzylamine
CID 71604915
Methyl (2Z)-{[(1R)-1-phenylethyl]imino}acetate
CID 86598924
Methyl 2-[1-(4-fluorophenyl)ethylimino]acetate
CID 139818848
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
Methyl (R,Z)-(1-phenylethylimino)acetate N-oxide
CID 12060057

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine?
The IUPAC name of 2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine (CID 139989801) is 2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine.
What is the SMILES notation for 2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine?
The canonical SMILES for 2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine is COC(/C=N/[C@H](C)c1ccccc1)OC.
What is the InChIKey of 2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine?
The InChIKey is BBXIWRCTYUYRFH-QQMDNXKGSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(11-7-5-4-6-8-11)13-9-12(14-2)15-3/h4-10,12H,1-3H3/b13-9+/t10-/m1/s1.
What are the key properties of 2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine?
2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine has a molecular weight of 207.27 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine is sourced from PubChem (CID 139989801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).