(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride

C9H12ClF2NO — CID 118992875

IUPAC(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cc(F)c([C@H](C)N)c(F)c1.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-5(12)9-7(10)3-6(13-2)4-8(9)11;/h3-5H,12H2,1-2H3;1H/t5-;/m0./s1
InChIKeySWNYDDQVCAISKQ-JEDNCBNOSA-N
MW223.65 g/mol
LogP2.41
Rot. Bonds2

About (1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride

(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 118992875) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is (1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
PubChem CID118992875
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC Name(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cc(F)c([C@H](C)N)c(F)c1.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-5(12)9-7(10)3-6(13-2)4-8(9)11;/h3-5H,12H2,1-2H3;1H/t5-;/m0./s1
InChIKeySWNYDDQVCAISKQ-JEDNCBNOSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878
(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171215809
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171215785
(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171215813
3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine
CID 84795108
(1S)-1-(2,6-difluoro-4-methoxyphenyl)pentane-1,5-diamine
CID 171235409
(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 60965951
1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
CID 54880583
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497
1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine
CID 61034522
(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
CID 126531407

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride (CID 118992875) is (1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride is COc1cc(F)c([C@H](C)N)c(F)c1.Cl.
What is the InChIKey of (1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is SWNYDDQVCAISKQ-JEDNCBNOSA-N. The full InChI is InChI=1S/C9H11F2NO.ClH/c1-5(12)9-7(10)3-6(13-2)4-8(9)11;/h3-5H,12H2,1-2H3;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride?
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 223.65 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 118992875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).