1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine

C15H21NO4 — CID 101130697

IUPAC1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine
SMILESCOC[C@@H]1OC(C)(/C=N/c2ccccc2)O[C@H]1COC
InChIInChI=1S/C15H21NO4/c1-15(11-16-12-7-5-4-6-8-12)19-13(9-17-2)14(20-15)10-18-3/h4-8,11,13-14H,9-10H2,1-3H3/b16-11+/t13-,14-/m0/s1
InChIKeyFETZASVWLJFLHY-XFPDNBNNSA-N
MW279.34 g/mol
LogP2.18
Rot. Bonds6

About 1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine

1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine (PubChem CID 101130697) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine
PubChem CID101130697
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine
SMILESCOC[C@@H]1OC(C)(/C=N/c2ccccc2)O[C@H]1COC
InChIInChI=1S/C15H21NO4/c1-15(11-16-12-7-5-4-6-8-12)19-13(9-17-2)14(20-15)10-18-3/h4-8,11,13-14H,9-10H2,1-3H3/b16-11+/t13-,14-/m0/s1
InChIKeyFETZASVWLJFLHY-XFPDNBNNSA-N
XLogP2.18
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4R,5R)-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]aniline
CID 163899363
(4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane
CID 14265871
N-[(E)-3-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]but-2-enoxy]-1-phenylmethanamine
CID 177406108
2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane
CID 123915019
(2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane
CID 131860879
2-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]acetaldehyde
CID 11149732
tris(1-deuterio-N-phenylmethanimidic acid);propane
CID 160628250
(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane
CID 11186734
bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium
CID 11182433
1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865599
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-ol
CID 71475919

Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine?
The IUPAC name of 1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine (CID 101130697) is 1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine.
What is the SMILES notation for 1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine?
The canonical SMILES for 1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine is COC[C@@H]1OC(C)(/C=N/c2ccccc2)O[C@H]1COC.
What is the InChIKey of 1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine?
The InChIKey is FETZASVWLJFLHY-XFPDNBNNSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(11-16-12-7-5-4-6-8-12)19-13(9-17-2)14(20-15)10-18-3/h4-8,11,13-14H,9-10H2,1-3H3/b16-11+/t13-,14-/m0/s1.
What are the key properties of 1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine?
1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine has a molecular weight of 279.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5S)-4,5-bis(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl]-N-phenylmethanimine is sourced from PubChem (CID 101130697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).