[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol

C14H20FNO2 — CID 62271267

IUPAC[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
SMILESCN(Cc1cccc(F)c1)CC1(CO)CCOC1
InChIInChI=1S/C14H20FNO2/c1-16(8-12-3-2-4-13(15)7-12)9-14(10-17)5-6-18-11-14/h2-4,7,17H,5-6,8-11H2,1H3
InChIKeyKLNXHMGRZVYWEU-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.66
Rot. Bonds5

About [3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol

[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol (PubChem CID 62271267) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
PubChem CID62271267
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
SMILESCN(Cc1cccc(F)c1)CC1(CO)CCOC1
InChIInChI=1S/C14H20FNO2/c1-16(8-12-3-2-4-13(15)7-12)9-14(10-17)5-6-18-11-14/h2-4,7,17H,5-6,8-11H2,1H3
InChIKeyKLNXHMGRZVYWEU-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62261568
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol
CID 63747607
[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol
CID 55241090
[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol
CID 63745907
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054
[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 115249023
1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine
CID 62390445
N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 63133198
[3-[(dimethylamino)methyl]oxolan-3-yl]methanol
CID 62270559
1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 55050971
3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272842

Frequently Asked Questions

What is the IUPAC name of [3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol (CID 62271267) is [3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol is CN(Cc1cccc(F)c1)CC1(CO)CCOC1.
What is the InChIKey of [3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol?
The InChIKey is KLNXHMGRZVYWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16(8-12-3-2-4-13(15)7-12)9-14(10-17)5-6-18-11-14/h2-4,7,17H,5-6,8-11H2,1H3.
What are the key properties of [3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol?
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol has a molecular weight of 253.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 62271267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).