(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride

C9H12ClF2NO — CID 171210621

IUPAC(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cccc(F)c1[C@H](N)CF.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-13-8-4-2-3-6(11)9(8)7(12)5-10;/h2-4,7H,5,12H2,1H3;1H/t7-;/m1./s1
InChIKeyLMLBBRWYQRQCLR-OGFXRTJISA-N
MW223.65 g/mol
LogP2.23
Rot. Bonds3

About (1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride

(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 171210621) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is (1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
PubChem CID171210621
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC Name(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cccc(F)c1[C@H](N)CF.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-13-8-4-2-3-6(11)9(8)7(12)5-10;/h2-4,7H,5,12H2,1H3;1H/t7-;/m1./s1
InChIKeyLMLBBRWYQRQCLR-OGFXRTJISA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride 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

(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171230236
1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
CID 65434992
(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine
CID 171230231
1-(2-fluoro-6-methoxyphenyl)hex-4-yn-1-amine
CID 104806950
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 171230255
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 171249964
1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine
CID 114475528
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115983920
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
ethyl (3R)-3-amino-2-fluoro-3-(2-fluoro-6-methoxyphenyl)propanoate;hydrochloride
CID 171243248
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665

Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride (CID 171210621) is (1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride is COc1cccc(F)c1[C@H](N)CF.Cl.
What is the InChIKey of (1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is LMLBBRWYQRQCLR-OGFXRTJISA-N. The full InChI is InChI=1S/C9H11F2NO.ClH/c1-13-8-4-2-3-6(11)9(8)7(12)5-10;/h2-4,7H,5,12H2,1H3;1H/t7-;/m1./s1.
What are the key properties of (1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride?
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 223.65 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171210621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).