N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine

C17H19NO2 — CID 155675021

IUPACN-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine
SMILESCOC(CN=C(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C17H19NO2/c1-19-16(20-2)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKeyNEWAQSJZDKSACF-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.14
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine

N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine (PubChem CID 155675021) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine
PubChem CID155675021
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine
SMILESCOC(CN=C(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C17H19NO2/c1-19-16(20-2)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKeyNEWAQSJZDKSACF-UHFFFAOYSA-N
XLogP3.14
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.14
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'}

Analyze N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine 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-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate
CID 118304725
N-(3-methylbutyl)-1,1-diphenylmethanimine
CID 11054109
2-(benzhydrylideneamino)acetic acid
CID 118304722
4,4-dimethoxybutan-2-yl benzoate
CID 10657559
1,5-bis(benzhydrylideneamino)-2,4-bis(1,3-dihydroisoindol-2-yl)pentan-3-one
CID 151838112
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
1,1-dimethoxypropane;toluene
CID 91421331
methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate
CID 15899479
N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]-1,1-diphenylmethanimine
CID 25260054
N'-benzyl-N-methoxybenzenecarboximidamide
CID 118529903
bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane
CID 13141489
3-(benzhydrylideneamino)propanal
CID 11447740

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine?
The IUPAC name of N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine (CID 155675021) is N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine is COC(CN=C(c1ccccc1)c1ccccc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine?
The InChIKey is NEWAQSJZDKSACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-16(20-2)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine?
N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine has a molecular weight of 269.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine is sourced from PubChem (CID 155675021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).