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

C14H21NO2 — CID 115248804

IUPAC[3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol
SMILESCc1cc(C)c(NCC2(CO)COC2)cc1C
InChIInChI=1S/C14H21NO2/c1-10-4-12(3)13(5-11(10)2)15-6-14(7-16)8-17-9-14/h4-5,15-16H,6-9H2,1-3H3
InChIKeyBPDOCUMHZRGLQH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds4

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

[3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol (PubChem CID 115248804) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol
PubChem CID115248804
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol
SMILESCc1cc(C)c(NCC2(CO)COC2)cc1C
InChIInChI=1S/C14H21NO2/c1-10-4-12(3)13(5-11(10)2)15-6-14(7-16)8-17-9-14/h4-5,15-16H,6-9H2,1-3H3
InChIKeyBPDOCUMHZRGLQH-UHFFFAOYSA-N
XLogP2.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248783
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
[1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol
CID 115243248
3-[(4-methoxy-2,5-dimethylanilino)methyl]oxetane-3-carboxylic acid
CID 115248282
[3-[(3-methyl-4-nitroanilino)methyl]oxetan-3-yl]methanol
CID 133399165
[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248984
[3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 130662949
[3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol
CID 133451467
[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol
CID 115555162
[3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248821
[1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol
CID 115243235
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol (CID 115248804) is [3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol is Cc1cc(C)c(NCC2(CO)COC2)cc1C.
What is the InChIKey of [3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol?
The InChIKey is BPDOCUMHZRGLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-12(3)13(5-11(10)2)15-6-14(7-16)8-17-9-14/h4-5,15-16H,6-9H2,1-3H3.
What are the key properties of [3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol?
[3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115248804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).