1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine

C9H12F2N2 — CID 116839462

IUPAC1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine
SMILESCC(C)(N)C(F)(F)c1ccncc1
InChIInChI=1S/C9H12F2N2/c1-8(2,12)9(10,11)7-3-5-13-6-4-7/h3-6H,12H2,1-2H3
InChIKeySENSPNWBLYUIRS-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.91
Rot. Bonds2

About 1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine

1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine (PubChem CID 116839462) has the molecular formula C9H12F2N2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine
PubChem CID116839462
Molecular FormulaC9H12F2N2
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine
SMILESCC(C)(N)C(F)(F)c1ccncc1
InChIInChI=1S/C9H12F2N2/c1-8(2,12)9(10,11)7-3-5-13-6-4-7/h3-6H,12H2,1-2H3
InChIKeySENSPNWBLYUIRS-UHFFFAOYSA-N
XLogP1.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453346
4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine
CID 116839582
1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine
CID 116839434
4-(2-pyridin-4-ylpropan-2-yl)pyridine
CID 20584229
tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride
CID 139134561
4-amino-3,4-dimethyl-3-pyridin-4-ylpentan-1-ol
CID 66090289
4-(1,1-diiodoethyl)pyridine
CID 174356273
1-cyclopropyl-1-pyridin-4-ylethanamine
CID 83826672
2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
CID 146014247
1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057
4-[difluoro(pyridin-4-yl)methyl]aniline
CID 83855648
tris(4-tert-butylpyridine);tribromoiridium
CID 58163024

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine (CID 116839462) is 1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine is CC(C)(N)C(F)(F)c1ccncc1.
What is the InChIKey of 1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine?
The InChIKey is SENSPNWBLYUIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-8(2,12)9(10,11)7-3-5-13-6-4-7/h3-6H,12H2,1-2H3.
What are the key properties of 1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine?
1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine has a molecular weight of 186.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 116839462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).