2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol

C8H9ClFNO2 — CID 84778833

IUPAC2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol
SMILESCOc1cc(Cl)c(O)c(CN)c1F
InChIInChI=1S/C8H9ClFNO2/c1-13-6-2-5(9)8(12)4(3-11)7(6)10/h2,12H,3,11H2,1H3
InChIKeyATBJPSRVQBRFOB-UHFFFAOYSA-N
MW205.62 g/mol
LogP1.65
Rot. Bonds2

About 2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol

2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol (PubChem CID 84778833) has the molecular formula C8H9ClFNO2 and a molecular weight of 205.62 g/mol. Its IUPAC name is 2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol.

Molecular Properties

Compound Name2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol
PubChem CID84778833
Molecular FormulaC8H9ClFNO2
Molecular Weight205.62 g/mol
Exact Mass205.03
IUPAC Name2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol
SMILESCOc1cc(Cl)c(O)c(CN)c1F
InChIInChI=1S/C8H9ClFNO2/c1-13-6-2-5(9)8(12)4(3-11)7(6)10/h2,12H,3,11H2,1H3
InChIKeyATBJPSRVQBRFOB-UHFFFAOYSA-N
XLogP1.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84797143
2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone
CID 84796525
(2,3,6-trifluoro-5-methoxyphenyl)methanamine
CID 117282112
2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117339631
2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117343845
3-amino-2-(3-chloro-2-fluoro-6-hydroxy-5-methoxyphenyl)propanoic acid
CID 117413939
2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117313606
2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
CID 117437146
6-chloro-2,3,4-trimethoxyphenol
CID 13442752
2-(2-aminoethyl)-6-chloro-3,4-difluorophenol
CID 83883525
2-(1-aminocyclopropyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117335344
4-chloro-2,3-difluoro-6-methoxyaniline
CID 170781389

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol?
The IUPAC name of 2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol (CID 84778833) is 2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol.
What is the SMILES notation for 2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol?
The canonical SMILES for 2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol is COc1cc(Cl)c(O)c(CN)c1F.
What is the InChIKey of 2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol?
The InChIKey is ATBJPSRVQBRFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2/c1-13-6-2-5(9)8(12)4(3-11)7(6)10/h2,12H,3,11H2,1H3.
What are the key properties of 2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol?
2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol has a molecular weight of 205.62 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol is sourced from PubChem (CID 84778833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).