3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol

C10H14FNO2 — CID 117288592

IUPAC3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
SMILESCOc1ccc(C(C)CN)c(F)c1O
InChIInChI=1S/C10H14FNO2/c1-6(5-12)7-3-4-8(14-2)10(13)9(7)11/h3-4,6,13H,5,12H2,1-2H3
InChIKeyRJMDQKVWSNRANP-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.60
Rot. Bonds3

About 3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol

3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol (PubChem CID 117288592) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
PubChem CID117288592
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
SMILESCOc1ccc(C(C)CN)c(F)c1O
InChIInChI=1S/C10H14FNO2/c1-6(5-12)7-3-4-8(14-2)10(13)9(7)11/h3-4,6,13H,5,12H2,1-2H3
InChIKeyRJMDQKVWSNRANP-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-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine
CID 117331001
2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781
6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279608
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117347645
2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol
CID 117309015
2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
CID 117290018
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
CID 66516800
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol
CID 117307369
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021
2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117339631

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol?
The IUPAC name of 3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol (CID 117288592) is 3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol?
The canonical SMILES for 3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol is COc1ccc(C(C)CN)c(F)c1O.
What is the InChIKey of 3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol?
The InChIKey is RJMDQKVWSNRANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-6(5-12)7-3-4-8(14-2)10(13)9(7)11/h3-4,6,13H,5,12H2,1-2H3.
What are the key properties of 3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol?
3-(1-aminopropan-2-yl)-2-fluoro-6-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 3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol is sourced from PubChem (CID 117288592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).