[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol

C14H21NO3 — CID 115248783

IUPAC[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
SMILESCOc1cc(C)c(C)cc1NCC1(CO)COC1
InChIInChI=1S/C14H21NO3/c1-10-4-12(13(17-3)5-11(10)2)15-6-14(7-16)8-18-9-14/h4-5,15-16H,6-9H2,1-3H3
InChIKeyGZMGRPHYIHQBSP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.73
Rot. Bonds5

About [3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol

[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol (PubChem CID 115248783) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
PubChem CID115248783
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
SMILESCOc1cc(C)c(C)cc1NCC1(CO)COC1
InChIInChI=1S/C14H21NO3/c1-10-4-12(13(17-3)5-11(10)2)15-6-14(7-16)8-18-9-14/h4-5,15-16H,6-9H2,1-3H3
InChIKeyGZMGRPHYIHQBSP-UHFFFAOYSA-N
XLogP1.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248804
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
CID 115245582
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
3-[(4-methoxy-2,5-dimethylanilino)methyl]oxetane-3-carboxylic acid
CID 115248282
[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248984
[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874726
[1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol
CID 115243235
[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116930388
[1-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 106660625
[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol
CID 115246686
N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
CID 115213789
3-[(4,5-dimethoxy-2-methylanilino)methyl]oxetane-3-carbonitrile
CID 115247782

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol (CID 115248783) is [3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol is COc1cc(C)c(C)cc1NCC1(CO)COC1.
What is the InChIKey of [3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol?
The InChIKey is GZMGRPHYIHQBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-4-12(13(17-3)5-11(10)2)15-6-14(7-16)8-18-9-14/h4-5,15-16H,6-9H2,1-3H3.
What are the key properties of [3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol?
[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115248783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).