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

C9H11ClFNO2 — CID 117313606

IUPAC2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)c(Cl)c(CCN)c1O
InChIInChI=1S/C9H11ClFNO2/c1-14-7-4-6(11)8(10)5(2-3-12)9(7)13/h4,13H,2-3,12H2,1H3
InChIKeyFVZOJVRZSRLISJ-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.69
Rot. Bonds3

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

2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol (PubChem CID 117313606) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
PubChem CID117313606
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)c(Cl)c(CCN)c1O
InChIInChI=1S/C9H11ClFNO2/c1-14-7-4-6(11)8(10)5(2-3-12)9(7)13/h4,13H,2-3,12H2,1H3
InChIKeyFVZOJVRZSRLISJ-UHFFFAOYSA-N
XLogP1.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117339653
4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid
CID 117411352
3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
CID 117414325
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117343844
3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84797782
2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
CID 117464477
2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
CID 117314957
2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246
2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117335343
2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol
CID 117309015
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-chloro-4-fluoro-6-methoxyphenol
CID 136932491
2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol
CID 117329978

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol?
The IUPAC name of 2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol (CID 117313606) is 2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol.
What is the SMILES notation for 2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol?
The canonical SMILES for 2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol is COc1cc(F)c(Cl)c(CCN)c1O.
What is the InChIKey of 2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol?
The InChIKey is FVZOJVRZSRLISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c1-14-7-4-6(11)8(10)5(2-3-12)9(7)13/h4,13H,2-3,12H2,1H3.
What are the key properties of 2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol?
2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol has a molecular weight of 219.64 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol is sourced from PubChem (CID 117313606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).