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

C9H11F2N — CID 55283283

IUPAC1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(C)N)c1F
InChIInChI=1S/C9H11F2N/c1-5-3-4-7(10)8(6(2)12)9(5)11/h3-4,6H,12H2,1-2H3
InChIKeyBQMQHQLWIVKOLZ-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.29
Rot. Bonds1

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

1-(2,6-difluoro-3-methylphenyl)ethanamine (PubChem CID 55283283) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)ethanamine
PubChem CID55283283
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(C)N)c1F
InChIInChI=1S/C9H11F2N/c1-5-3-4-7(10)8(6(2)12)9(5)11/h3-4,6H,12H2,1-2H3
InChIKeyBQMQHQLWIVKOLZ-UHFFFAOYSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
2-[(1S)-1-aminoethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253947
(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171249742
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(1R)-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209954
(1S,2R)-1-amino-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 131531644
1-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 55272050
(2S)-2-amino-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209975
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311822
(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)ethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)ethanamine (CID 55283283) is 1-(2,6-difluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)ethanamine is Cc1ccc(F)c(C(C)N)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)ethanamine?
The InChIKey is BQMQHQLWIVKOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-5-3-4-7(10)8(6(2)12)9(5)11/h3-4,6H,12H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)ethanamine?
1-(2,6-difluoro-3-methylphenyl)ethanamine has a molecular weight of 171.19 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 55283283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).