[3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol

C14H20FNO2 — CID 115249064

IUPAC[3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
SMILESCc1cc(CCNCC2(CO)COC2)ccc1F
InChIInChI=1S/C14H20FNO2/c1-11-6-12(2-3-13(11)15)4-5-16-7-14(8-17)9-18-10-14/h2-3,6,16-17H,4-5,7-10H2,1H3
InChIKeyYRZRBUIBLLNISC-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.28
Rot. Bonds6

About [3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol

[3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol (PubChem CID 115249064) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
PubChem CID115249064
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
SMILESCc1cc(CCNCC2(CO)COC2)ccc1F
InChIInChI=1S/C14H20FNO2/c1-11-6-12(2-3-13(11)15)4-5-16-7-14(8-17)9-18-10-14/h2-3,6,16-17H,4-5,7-10H2,1H3
InChIKeyYRZRBUIBLLNISC-UHFFFAOYSA-N
XLogP1.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249056
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115249546
[3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249101
[2-(4-fluoro-3-methylphenyl)ethylamino]methanethiol
CID 115228200
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004
[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621
4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 115239906
N'-[2-(4-fluoro-3-methylphenyl)ethyl]butane-1,4-diamine
CID 115201373
[3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249100
3-[[2-(3,4-difluorophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248148
1-[2-(4-fluoro-3-methylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181931

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol (CID 115249064) is [3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol is Cc1cc(CCNCC2(CO)COC2)ccc1F.
What is the InChIKey of [3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is YRZRBUIBLLNISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11-6-12(2-3-13(11)15)4-5-16-7-14(8-17)9-18-10-14/h2-3,6,16-17H,4-5,7-10H2,1H3.
What are the key properties of [3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol?
[3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 253.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).