3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol

C13H20FNO2 — CID 107686395

IUPAC3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(CN)cc1F
InChIInChI=1S/C13H20FNO2/c1-3-13(16,4-2)9-17-12-6-5-10(8-15)7-11(12)14/h5-7,16H,3-4,8-9,15H2,1-2H3
InChIKeySOGHDTWCXULCPH-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.21
Rot. Bonds6

About 3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol

3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol (PubChem CID 107686395) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol
PubChem CID107686395
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(CN)cc1F
InChIInChI=1S/C13H20FNO2/c1-3-13(16,4-2)9-17-12-6-5-10(8-15)7-11(12)14/h5-7,16H,3-4,8-9,15H2,1-2H3
InChIKeySOGHDTWCXULCPH-UHFFFAOYSA-N
XLogP2.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
CID 107665283
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 107686387
1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686628
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
CID 61101901
[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
CID 107686331
3-[[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492396
[4-(3-ethylsulfanylpropoxy)-3-fluorophenyl]methanamine
CID 107686239
2-[4-(aminomethyl)-2-fluorophenoxy]acetonitrile
CID 107686306
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
[4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
CID 107686357
3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol
CID 114492086

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol (CID 107686395) is 3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol is CCC(O)(CC)COc1ccc(CN)cc1F.
What is the InChIKey of 3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol?
The InChIKey is SOGHDTWCXULCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-13(16,4-2)9-17-12-6-5-10(8-15)7-11(12)14/h5-7,16H,3-4,8-9,15H2,1-2H3.
What are the key properties of 3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol?
3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol has a molecular weight of 241.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 107686395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).