[3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol

C14H21NO2 — CID 116959451

IUPAC[3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
SMILESCNC(c1ccc(C)c(C)c1)C1(CO)COC1
InChIInChI=1S/C14H21NO2/c1-10-4-5-12(6-11(10)2)13(15-3)14(7-16)8-17-9-14/h4-6,13,15-16H,7-9H2,1-3H3
InChIKeyHFTFHQYZDNDHJD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds4

About [3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol

[3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol (PubChem CID 116959451) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
PubChem CID116959451
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
SMILESCNC(c1ccc(C)c(C)c1)C1(CO)COC1
InChIInChI=1S/C14H21NO2/c1-10-4-5-12(6-11(10)2)13(15-3)14(7-16)8-17-9-14/h4-6,13,15-16H,7-9H2,1-3H3
InChIKeyHFTFHQYZDNDHJD-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116959513
[3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959457
[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944770
[3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959472
[1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958336
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116959571
[1-[(2,5-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958233
[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959023
1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79061537
1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116959618
3-[(5-bromo-2-methylphenyl)-(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959372

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol (CID 116959451) is [3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol is CNC(c1ccc(C)c(C)c1)C1(CO)COC1.
What is the InChIKey of [3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is HFTFHQYZDNDHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-5-12(6-11(10)2)13(15-3)14(7-16)8-17-9-14/h4-6,13,15-16H,7-9H2,1-3H3.
What are the key properties of [3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol?
[3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116959451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).