3-fluoro-5-methoxy-4-(methylaminomethyl)phenol

C9H12FNO2 — CID 84769612

IUPAC3-fluoro-5-methoxy-4-(methylaminomethyl)phenol
SMILESCNCc1c(F)cc(O)cc1OC
InChIInChI=1S/C9H12FNO2/c1-11-5-7-8(10)3-6(12)4-9(7)13-2/h3-4,11-12H,5H2,1-2H3
InChIKeyPMOXDUUYYYENJM-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.26
Rot. Bonds3

About 3-fluoro-5-methoxy-4-(methylaminomethyl)phenol

3-fluoro-5-methoxy-4-(methylaminomethyl)phenol (PubChem CID 84769612) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-4-(methylaminomethyl)phenol.

Molecular Properties

Compound Name3-fluoro-5-methoxy-4-(methylaminomethyl)phenol
PubChem CID84769612
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name3-fluoro-5-methoxy-4-(methylaminomethyl)phenol
SMILESCNCc1c(F)cc(O)cc1OC
InChIInChI=1S/C9H12FNO2/c1-11-5-7-8(10)3-6(12)4-9(7)13-2/h3-4,11-12H,5H2,1-2H3
InChIKeyPMOXDUUYYYENJM-UHFFFAOYSA-N
XLogP1.26
TPSA41.49 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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-fluoro-4-(methylaminomethyl)phenol
CID 84771305
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride
CID 84808458
3-fluoro-5-methoxy-4-methylphenol
CID 84650327
3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol
CID 84711178
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
3,5-difluoro-2-(methylaminomethyl)phenol
CID 84766377
1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine
CID 84697228
ethane;4-ethyl-5-methoxybenzene-1,3-diol
CID 153353458
4-methoxy-3-(methylaminomethyl)phenol
CID 84731678
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile
CID 84780469
4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol
CID 84795051
3-fluoro-4-methoxyphenol
CID 14661613

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-4-(methylaminomethyl)phenol?
The IUPAC name of 3-fluoro-5-methoxy-4-(methylaminomethyl)phenol (CID 84769612) is 3-fluoro-5-methoxy-4-(methylaminomethyl)phenol.
What is the SMILES notation for 3-fluoro-5-methoxy-4-(methylaminomethyl)phenol?
The canonical SMILES for 3-fluoro-5-methoxy-4-(methylaminomethyl)phenol is CNCc1c(F)cc(O)cc1OC.
What is the InChIKey of 3-fluoro-5-methoxy-4-(methylaminomethyl)phenol?
The InChIKey is PMOXDUUYYYENJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-11-5-7-8(10)3-6(12)4-9(7)13-2/h3-4,11-12H,5H2,1-2H3.
What are the key properties of 3-fluoro-5-methoxy-4-(methylaminomethyl)phenol?
3-fluoro-5-methoxy-4-(methylaminomethyl)phenol has a molecular weight of 185.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxy-4-(methylaminomethyl)phenol is sourced from PubChem (CID 84769612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).