2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol

C10H14FNO2 — CID 117288596

IUPAC2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol
SMILESCOc1cc(F)cc(O)c1C(C)CN
InChIInChI=1S/C10H14FNO2/c1-6(5-12)10-8(13)3-7(11)4-9(10)14-2/h3-4,6,13H,5,12H2,1-2H3
InChIKeyDOTRUCUXOWUJNE-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.60
Rot. Bonds3

About 2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol

2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol (PubChem CID 117288596) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol
PubChem CID117288596
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol
SMILESCOc1cc(F)cc(O)c1C(C)CN
InChIInChI=1S/C10H14FNO2/c1-6(5-12)10-8(13)3-7(11)4-9(10)14-2/h3-4,6,13H,5,12H2,1-2H3
InChIKeyDOTRUCUXOWUJNE-UHFFFAOYSA-N
XLogP1.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
CID 117290018
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate
CID 117331982
2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol
CID 117309015
2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol
CID 117366706
2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117339631
2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117324048
1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117324016
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
CID 105426015
3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
CID 117288592
2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine
CID 83887883

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol (CID 117288596) is 2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol is COc1cc(F)cc(O)c1C(C)CN.
What is the InChIKey of 2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol?
The InChIKey is DOTRUCUXOWUJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-6(5-12)10-8(13)3-7(11)4-9(10)14-2/h3-4,6,13H,5,12H2,1-2H3.
What are the key properties of 2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol?
2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol has a molecular weight of 199.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol is sourced from PubChem (CID 117288596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).