3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol

C10H14FNO2 — CID 43152166

IUPAC3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
SMILESNCc1ccc(OCCCO)c(F)c1
InChIInChI=1S/C10H14FNO2/c11-9-6-8(7-12)2-3-10(9)14-5-1-4-13/h2-3,6,13H,1,4-5,7,12H2
InChIKeyVLSPTLSIYAZOQD-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.05
Rot. Bonds5

About 3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol

3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol (PubChem CID 43152166) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
PubChem CID43152166
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
SMILESNCc1ccc(OCCCO)c(F)c1
InChIInChI=1S/C10H14FNO2/c11-9-6-8(7-12)2-3-10(9)14-5-1-4-13/h2-3,6,13H,1,4-5,7,12H2
InChIKeyVLSPTLSIYAZOQD-UHFFFAOYSA-N
XLogP1.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 107686387
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
CID 61101901
(4-but-3-enoxy-3-fluorophenyl)methanamine
CID 107686236
[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
CID 107686331
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
[4-(3-ethylsulfanylpropoxy)-3-fluorophenyl]methanamine
CID 107686239
2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride
CID 68743349
2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol
CID 154628107
2-[4-(aminomethyl)-2-fluorophenoxy]acetonitrile
CID 107686306
4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol
CID 107655616
[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61227389
3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol
CID 107686395

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol?
The IUPAC name of 3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol (CID 43152166) is 3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol?
The canonical SMILES for 3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol is NCc1ccc(OCCCO)c(F)c1.
What is the InChIKey of 3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol?
The InChIKey is VLSPTLSIYAZOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c11-9-6-8(7-12)2-3-10(9)14-5-1-4-13/h2-3,6,13H,1,4-5,7,12H2.
What are the key properties of 3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol?
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 1.05, 5 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]propan-1-ol is sourced from PubChem (CID 43152166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).