[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol

C16H25NO2 — CID 115248876

IUPAC[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
SMILESCC(C)Cc1ccc(N(C)CC2(CO)COC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(2)8-14-4-6-15(7-5-14)17(3)9-16(10-18)11-19-12-16/h4-7,13,18H,8-12H2,1-3H3
InChIKeyIETIKOMCVZLFEO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.33
Rot. Bonds6

About [3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol

[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol (PubChem CID 115248876) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
PubChem CID115248876
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
SMILESCC(C)Cc1ccc(N(C)CC2(CO)COC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(2)8-14-4-6-15(7-5-14)17(3)9-16(10-18)11-19-12-16/h4-7,13,18H,8-12H2,1-3H3
InChIKeyIETIKOMCVZLFEO-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[N-methyl-4-(2-methylpropyl)anilino]methanol
CID 115228791
[1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol
CID 116874719
[3-[(3-bromo-4-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
CID 115248882
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol
CID 115136839
[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976506
[3-[[methyl(thiophen-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248861
[1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243332
[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 115249023
[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
CID 115248930
2-[N-methyl-4-(2-methylpropyl)anilino]ethanethiol
CID 115223767
4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol
CID 115149409

Frequently Asked Questions

What is the IUPAC name of [3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol (CID 115248876) is [3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol is CC(C)Cc1ccc(N(C)CC2(CO)COC2)cc1.
What is the InChIKey of [3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol?
The InChIKey is IETIKOMCVZLFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)8-14-4-6-15(7-5-14)17(3)9-16(10-18)11-19-12-16/h4-7,13,18H,8-12H2,1-3H3.
What are the key properties of [3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol?
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115248876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).