3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol

C11H16FNO2 — CID 117304214

IUPAC3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol
SMILESCOc1c(C)cc(CCCN)c(F)c1O
InChIInChI=1S/C11H16FNO2/c1-7-6-8(4-3-5-13)9(12)10(14)11(7)15-2/h6,14H,3-5,13H2,1-2H3
InChIKeyAZFJYJNJTIMAOP-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.74
Rot. Bonds4

About 3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol

3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol (PubChem CID 117304214) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol.

Molecular Properties

Compound Name3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol
PubChem CID117304214
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol
SMILESCOc1c(C)cc(CCCN)c(F)c1O
InChIInChI=1S/C11H16FNO2/c1-7-6-8(4-3-5-13)9(12)10(14)11(7)15-2/h6,14H,3-5,13H2,1-2H3
InChIKeyAZFJYJNJTIMAOP-UHFFFAOYSA-N
XLogP1.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopropyl)-3-fluoro-6-methylbenzene-1,2-diol
CID 117288575
3-(2-fluoro-3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117328457
5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
CID 117409500
4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol
CID 84811292
2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
CID 117288585
3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine
CID 117335626
4-(3-chloro-2,4-dimethoxy-5-methylphenyl)butan-1-amine
CID 117398141
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
4-(3-fluoro-2-methoxy-5-methylphenyl)butan-1-amine
CID 117301941
O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117330365
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine
CID 117359859
4-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)butanoic acid
CID 117406095

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol?
The IUPAC name of 3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol (CID 117304214) is 3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol.
What is the SMILES notation for 3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol?
The canonical SMILES for 3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol is COc1c(C)cc(CCCN)c(F)c1O.
What is the InChIKey of 3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol?
The InChIKey is AZFJYJNJTIMAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-7-6-8(4-3-5-13)9(12)10(14)11(7)15-2/h6,14H,3-5,13H2,1-2H3.
What are the key properties of 3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol?
3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol has a molecular weight of 213.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol is sourced from PubChem (CID 117304214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).