[3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol

C14H20FNO2 — CID 111976555

IUPAC[3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCC(c1ccc(F)cc1)N(C)CC1(CO)COC1
InChIInChI=1S/C14H20FNO2/c1-11(12-3-5-13(15)6-4-12)16(2)7-14(8-17)9-18-10-14/h3-6,11,17H,7-10H2,1-2H3
InChIKeyGVCMUBCAHBVVEV-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.83
Rot. Bonds5

About [3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol

[3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol (PubChem CID 111976555) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
PubChem CID111976555
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCC(c1ccc(F)cc1)N(C)CC1(CO)COC1
InChIInChI=1S/C14H20FNO2/c1-11(12-3-5-13(15)6-4-12)16(2)7-14(8-17)9-18-10-14/h3-6,11,17H,7-10H2,1-2H3
InChIKeyGVCMUBCAHBVVEV-UHFFFAOYSA-N
XLogP1.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[[1-(4-fluorophenyl)ethyl-methylamino]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-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976655
1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62984001
(2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol
CID 111487223
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 62985578
[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976506
[3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976549
4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 115294203
2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 111976581
[1-[[1-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343132
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 124671108

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol (CID 111976555) is [3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol is CC(c1ccc(F)cc1)N(C)CC1(CO)COC1.
What is the InChIKey of [3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is GVCMUBCAHBVVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11(12-3-5-13(15)6-4-12)16(2)7-14(8-17)9-18-10-14/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of [3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
[3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 253.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).