[3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol

C15H23NO2 — CID 111976680

IUPAC[3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol
SMILESCCN(CC1(CO)COC1)c1cc(C)cc(C)c1
InChIInChI=1S/C15H23NO2/c1-4-16(8-15(9-17)10-18-11-15)14-6-12(2)5-13(3)7-14/h5-7,17H,4,8-11H2,1-3H3
InChIKeyNMLBGBWVNSBWMP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.14
Rot. Bonds5

About [3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol

[3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol (PubChem CID 111976680) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol
PubChem CID111976680
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol
SMILESCCN(CC1(CO)COC1)c1cc(C)cc(C)c1
InChIInChI=1S/C15H23NO2/c1-4-16(8-15(9-17)10-18-11-15)14-6-12(2)5-13(3)7-14/h5-7,17H,4,8-11H2,1-3H3
InChIKeyNMLBGBWVNSBWMP-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol with MolForge

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Related Compounds

[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol
CID 63745907
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline
CID 62257422
[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248903
[3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 115249120
[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol
CID 62272788
[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116930388
[3-[(N-ethyl-2-fluoroanilino)methyl]oxan-3-yl]methanol
CID 63747442
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol
CID 111976653
[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
CID 115248930
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876

Frequently Asked Questions

What is the IUPAC name of [3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol (CID 111976680) is [3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol is CCN(CC1(CO)COC1)c1cc(C)cc(C)c1.
What is the InChIKey of [3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol?
The InChIKey is NMLBGBWVNSBWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16(8-15(9-17)10-18-11-15)14-6-12(2)5-13(3)7-14/h5-7,17H,4,8-11H2,1-3H3.
What are the key properties of [3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol?
[3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).