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

C9H11F2NO — CID 10797664

IUPAC2-(2,6-difluoro-3-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)c(CCN)c1F
InChIInChI=1S/C9H11F2NO/c1-13-8-3-2-7(10)6(4-5-12)9(8)11/h2-3H,4-5,12H2,1H3
InChIKeyDJXJNYHYCDJARM-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.47
Rot. Bonds3

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

2-(2,6-difluoro-3-methoxyphenyl)ethanamine (PubChem CID 10797664) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methoxyphenyl)ethanamine
PubChem CID10797664
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(2,6-difluoro-3-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)c(CCN)c1F
InChIInChI=1S/C9H11F2NO/c1-13-8-3-2-7(10)6(4-5-12)9(8)11/h2-3H,4-5,12H2,1H3
InChIKeyDJXJNYHYCDJARM-UHFFFAOYSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
6-(2-aminoethyl)-2-fluoro-3-methoxyphenol
CID 84769662
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889477
4-(6-fluoro-2,3-dimethoxyphenyl)butan-1-amine
CID 117327075
8-(2,6-difluoro-3-methoxyphenyl)octan-3-one
CID 157048833
(2S)-2-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 93478159
1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene
CID 118830405
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline
CID 95476937
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
(2,3,6-trifluoro-5-methoxyphenyl)methanamine
CID 117282112

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,6-difluoro-3-methoxyphenyl)ethanamine (CID 10797664) is 2-(2,6-difluoro-3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,6-difluoro-3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,6-difluoro-3-methoxyphenyl)ethanamine is COc1ccc(F)c(CCN)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methoxyphenyl)ethanamine?
The InChIKey is DJXJNYHYCDJARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-13-8-3-2-7(10)6(4-5-12)9(8)11/h2-3H,4-5,12H2,1H3.
What are the key properties of 2-(2,6-difluoro-3-methoxyphenyl)ethanamine?
2-(2,6-difluoro-3-methoxyphenyl)ethanamine has a molecular weight of 187.19 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methoxyphenyl)ethanamine is sourced from PubChem (CID 10797664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).