1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol

C14H20FNO2 — CID 113246827

IUPAC1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol
SMILESCC(O)(c1ccccc1F)C1(CN)CCCOC1
InChIInChI=1S/C14H20FNO2/c1-13(17,11-5-2-3-6-12(11)15)14(9-16)7-4-8-18-10-14/h2-3,5-6,17H,4,7-10,16H2,1H3
InChIKeyJCLDCNJNOSSVLZ-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.79
Rot. Bonds3

About 1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol

1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol (PubChem CID 113246827) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol
PubChem CID113246827
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol
SMILESCC(O)(c1ccccc1F)C1(CN)CCCOC1
InChIInChI=1S/C14H20FNO2/c1-13(17,11-5-2-3-6-12(11)15)14(9-16)7-4-8-18-10-14/h2-3,5-6,17H,4,7-10,16H2,1H3
InChIKeyJCLDCNJNOSSVLZ-UHFFFAOYSA-N
XLogP1.79
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol
CID 112680362
1-[3-(aminomethyl)oxolan-3-yl]-1-(2-bromophenyl)ethanol
CID 79126820
1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol
CID 79128669
1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol
CID 79128526
2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol
CID 114835055
2-(3-tert-butyloxan-3-yl)ethanamine
CID 83817500
1-[1-(2-fluorophenyl)-1-hydroxyethyl]cycloheptane-1-carbonitrile
CID 79129870
1-[1-(2-fluorophenyl)-1-hydroxyethyl]cyclooctane-1-carbonitrile
CID 80603670
1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol
CID 79128874
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol
CID 112680353
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine
CID 63335335
1-[1-(aminomethyl)cyclooctyl]-1-(2,5-dimethylphenyl)ethanol
CID 80610563

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol (CID 113246827) is 1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol is CC(O)(c1ccccc1F)C1(CN)CCCOC1.
What is the InChIKey of 1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol?
The InChIKey is JCLDCNJNOSSVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-13(17,11-5-2-3-6-12(11)15)14(9-16)7-4-8-18-10-14/h2-3,5-6,17H,4,7-10,16H2,1H3.
What are the key properties of 1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol?
1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol has a molecular weight of 253.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 113246827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).