1-(2,6-difluoro-3-methoxyphenyl)ethanamine

C9H11F2NO — CID 55272050

IUPAC1-(2,6-difluoro-3-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)c(C(C)N)c1F
InChIInChI=1S/C9H11F2NO/c1-5(12)8-6(10)3-4-7(13-2)9(8)11/h3-5H,12H2,1-2H3
InChIKeyVCZOLTWZQZKGTD-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.99
Rot. Bonds2

About 1-(2,6-difluoro-3-methoxyphenyl)ethanamine

1-(2,6-difluoro-3-methoxyphenyl)ethanamine (PubChem CID 55272050) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methoxyphenyl)ethanamine
PubChem CID55272050
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(2,6-difluoro-3-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)c(C(C)N)c1F
InChIInChI=1S/C9H11F2NO/c1-5(12)8-6(10)3-4-7(13-2)9(8)11/h3-5H,12H2,1-2H3
InChIKeyVCZOLTWZQZKGTD-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile
CID 130625977
(1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171215724
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
CID 171215725
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine
CID 171215718
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine;hydrochloride
CID 171235359
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171235352
(1S)-2-cyclopropyl-1-(2,6-difluoro-3-methoxyphenyl)ethanamine;hydrochloride
CID 171235369
(3R)-3-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 124514694
(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834
(1R)-1-(2,6-difluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171215754
ethyl (3S)-3-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoate
CID 171235397

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methoxyphenyl)ethanamine (CID 55272050) is 1-(2,6-difluoro-3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methoxyphenyl)ethanamine is COc1ccc(F)c(C(C)N)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methoxyphenyl)ethanamine?
The InChIKey is VCZOLTWZQZKGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5(12)8-6(10)3-4-7(13-2)9(8)11/h3-5H,12H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methoxyphenyl)ethanamine?
1-(2,6-difluoro-3-methoxyphenyl)ethanamine has a molecular weight of 187.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methoxyphenyl)ethanamine is sourced from PubChem (CID 55272050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).