[3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol

C16H25NO2 — CID 115249120

IUPAC[3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCc1ccc(C)c(CCN(C)CC2(CO)COC2)c1
InChIInChI=1S/C16H25NO2/c1-13-4-5-14(2)15(8-13)6-7-17(3)9-16(10-18)11-19-12-16/h4-5,8,18H,6-7,9-12H2,1-3H3
InChIKeyKDRJSYUELYWKNX-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.79
Rot. Bonds6

About [3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol

[3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol (PubChem CID 115249120) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
PubChem CID115249120
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCc1ccc(C)c(CCN(C)CC2(CO)COC2)c1
InChIInChI=1S/C16H25NO2/c1-13-4-5-14(2)15(8-13)6-7-17(3)9-16(10-18)11-19-12-16/h4-5,8,18H,6-7,9-12H2,1-3H3
InChIKeyKDRJSYUELYWKNX-UHFFFAOYSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243120
[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol
CID 111976653
[2-(2,5-dimethylphenyl)ethyl-methylamino]methanethiol
CID 115228360
N-(bromomethyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 115262334
2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258971
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 115249494
[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248903
[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 115249023
4-[2-(2,5-dimethylphenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 115220114
N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202182
3-amino-4-[2-(2,5-dimethylphenyl)ethyl-methylamino]butanoic acid
CID 115241861

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol (CID 115249120) is [3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol is Cc1ccc(C)c(CCN(C)CC2(CO)COC2)c1.
What is the InChIKey of [3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is KDRJSYUELYWKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-4-5-14(2)15(8-13)6-7-17(3)9-16(10-18)11-19-12-16/h4-5,8,18H,6-7,9-12H2,1-3H3.
What are the key properties of [3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
[3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).