(2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine

C13H19NO2 — CID 13479347

IUPAC(2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine
SMILESCOCO[C@@H](C)/C=N/[C@H](C)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-11(16-10-15-3)9-14-12(2)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3/b14-9+/t11-,12+/m0/s1
InChIKeyDXBRNRBCXPNWID-UYLKYBOVSA-N
MW221.30 g/mol
LogP2.83
Rot. Bonds6

About (2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine

(2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine (PubChem CID 13479347) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine.

Molecular Properties

Compound Name(2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine
PubChem CID13479347
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine
SMILESCOCO[C@@H](C)/C=N/[C@H](C)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-11(16-10-15-3)9-14-12(2)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3/b14-9+/t11-,12+/m0/s1
InChIKeyDXBRNRBCXPNWID-UYLKYBOVSA-N
XLogP2.83
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.83
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
3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
CID 134986322
N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 14065529
(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
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine?
The IUPAC name of (2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine (CID 13479347) is (2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine.
What is the SMILES notation for (2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine?
The canonical SMILES for (2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine is COCO[C@@H](C)/C=N/[C@H](C)c1ccccc1.
What is the InChIKey of (2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine?
The InChIKey is DXBRNRBCXPNWID-UYLKYBOVSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11(16-10-15-3)9-14-12(2)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3/b14-9+/t11-,12+/m0/s1.
What are the key properties of (2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine?
(2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine has a molecular weight of 221.30 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine is sourced from PubChem (CID 13479347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).