6-(2-aminoethyl)-2-fluoro-3-methoxyphenol

C9H12FNO2 — CID 84769662

IUPAC6-(2-aminoethyl)-2-fluoro-3-methoxyphenol
SMILESCOc1ccc(CCN)c(O)c1F
InChIInChI=1S/C9H12FNO2/c1-13-7-3-2-6(4-5-11)9(12)8(7)10/h2-3,12H,4-5,11H2,1H3
InChIKeyHMWIVCYZRMYYET-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.04
Rot. Bonds3

About 6-(2-aminoethyl)-2-fluoro-3-methoxyphenol

6-(2-aminoethyl)-2-fluoro-3-methoxyphenol (PubChem CID 84769662) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 6-(2-aminoethyl)-2-fluoro-3-methoxyphenol.

Molecular Properties

Compound Name6-(2-aminoethyl)-2-fluoro-3-methoxyphenol
PubChem CID84769662
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name6-(2-aminoethyl)-2-fluoro-3-methoxyphenol
SMILESCOc1ccc(CCN)c(O)c1F
InChIInChI=1S/C9H12FNO2/c1-13-7-3-2-6(4-5-11)9(12)8(7)10/h2-3,12H,4-5,11H2,1H3
InChIKeyHMWIVCYZRMYYET-UHFFFAOYSA-N
XLogP1.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal
CID 117287722
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol
CID 117337806
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
CID 117288585
4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine
CID 117355397
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794308
N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-2-fluoro-3-methoxyphenol?
The IUPAC name of 6-(2-aminoethyl)-2-fluoro-3-methoxyphenol (CID 84769662) is 6-(2-aminoethyl)-2-fluoro-3-methoxyphenol.
What is the SMILES notation for 6-(2-aminoethyl)-2-fluoro-3-methoxyphenol?
The canonical SMILES for 6-(2-aminoethyl)-2-fluoro-3-methoxyphenol is COc1ccc(CCN)c(O)c1F.
What is the InChIKey of 6-(2-aminoethyl)-2-fluoro-3-methoxyphenol?
The InChIKey is HMWIVCYZRMYYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-13-7-3-2-6(4-5-11)9(12)8(7)10/h2-3,12H,4-5,11H2,1H3.
What are the key properties of 6-(2-aminoethyl)-2-fluoro-3-methoxyphenol?
6-(2-aminoethyl)-2-fluoro-3-methoxyphenol has a molecular weight of 185.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-2-fluoro-3-methoxyphenol is sourced from PubChem (CID 84769662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).