1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine

C9H12F2N2 — CID 55272041

IUPAC1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(F)c(C(N)CN)c1F
InChIInChI=1S/C9H12F2N2/c1-5-2-3-6(10)8(9(5)11)7(13)4-12/h2-3,7H,4,12-13H2,1H3
InChIKeyNHPRDLWYUFUPCG-UHFFFAOYSA-N
MW186.20 g/mol
LogP1.23
Rot. Bonds2

About 1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine

1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine (PubChem CID 55272041) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
PubChem CID55272041
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(F)c(C(N)CN)c1F
InChIInChI=1S/C9H12F2N2/c1-5-2-3-6(10)8(9(5)11)7(13)4-12/h2-3,7H,4,12-13H2,1H3
InChIKeyNHPRDLWYUFUPCG-UHFFFAOYSA-N
XLogP1.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(2S)-2-amino-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209975
(1S)-1-(2,6-difluoro-3-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171229550
(1R)-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209954
1-(2,6-difluoro-3-methylphenyl)but-3-yn-1-amine
CID 114977890
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171249742
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82814538
1-(2,6-difluoro-3-methylphenyl)hexan-1-amine
CID 115837632
(1S)-1-(2,6-difluoro-3-methylphenyl)hexan-1-amine;hydrochloride
CID 171229559
(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852896
1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine
CID 82822872

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine (CID 55272041) is 1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine is Cc1ccc(F)c(C(N)CN)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine?
The InChIKey is NHPRDLWYUFUPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-5-2-3-6(10)8(9(5)11)7(13)4-12/h2-3,7H,4,12-13H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine?
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine has a molecular weight of 186.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55272041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).