2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine

C12H17F2N — CID 117048006

IUPAC2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CN)c1cccc(F)c1F
InChIInChI=1S/C12H17F2N/c1-8(2)12(3,7-15)9-5-4-6-10(13)11(9)14/h4-6,8H,7,15H2,1-3H3
InChIKeyBHOBLAKSFNOUFL-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.84
Rot. Bonds3

About 2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine

2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine (PubChem CID 117048006) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine
PubChem CID117048006
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CN)c1cccc(F)c1F
InChIInChI=1S/C12H17F2N/c1-8(2)12(3,7-15)9-5-4-6-10(13)11(9)14/h4-6,8H,7,15H2,1-3H3
InChIKeyBHOBLAKSFNOUFL-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine
CID 117048016
2-(2,3-difluorophenyl)butan-2-amine
CID 63988805
1-(4-bromo-2-methylpentan-2-yl)-2,3-difluorobenzene
CID 64716002
2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine
CID 112566875
2-(2,3-difluorophenyl)propan-2-ol
CID 10487389
2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 117047799
(2,3-difluorophenyl)-phosphanylmethanediol
CID 130314726
3-(1-amino-2,3-dimethylbutan-2-yl)aniline
CID 117048034
2-(2-fluoro-3-methylphenyl)-2-methylpropan-1-amine
CID 83696433
1-[bromo(difluoro)methyl]-2,3-difluorobenzene
CID 68872760
1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine
CID 63987756
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine (CID 117048006) is 2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine is CC(C)C(C)(CN)c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine?
The InChIKey is BHOBLAKSFNOUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-8(2)12(3,7-15)9-5-4-6-10(13)11(9)14/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine?
2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 117048006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).