(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine

C9H11F2NO — CID 55277831

IUPAC(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine
SMILESCOc1cc(F)c(F)cc1[C@@H](C)N
InChIInChI=1S/C9H11F2NO/c1-5(12)6-3-7(10)8(11)4-9(6)13-2/h3-5H,12H2,1-2H3/t5-/m1/s1
InChIKeyJMFDJRDGCYFBRT-RXMQYKEDSA-N
MW187.19 g/mol
LogP1.99
Rot. Bonds2

About (1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine

(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine (PubChem CID 55277831) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is (1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine
PubChem CID55277831
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine
SMILESCOc1cc(F)c(F)cc1[C@@H](C)N
InChIInChI=1S/C9H11F2NO/c1-5(12)6-3-7(10)8(11)4-9(6)13-2/h3-5H,12H2,1-2H3/t5-/m1/s1
InChIKeyJMFDJRDGCYFBRT-RXMQYKEDSA-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

1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
CID 117370203
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
4-(1-aminoethyl)-2,5-dimethoxyphenol
CID 117287023
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
CID 59409851
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
2-[(1R)-1-aminoethyl]-4,5-difluorophenol
CID 55275252
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine
CID 84796637
1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine
CID 84678560
1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride
CID 138505355
(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine
CID 171214001
(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
CID 55253284

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine (CID 55277831) is (1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine is COc1cc(F)c(F)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine?
The InChIKey is JMFDJRDGCYFBRT-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5(12)6-3-7(10)8(11)4-9(6)13-2/h3-5H,12H2,1-2H3/t5-/m1/s1.
What are the key properties of (1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine?
(1R)-1-(4,5-difluoro-2-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 (1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 55277831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).