1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine

C9H12F2N2 — CID 103759818

IUPAC1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine
SMILESCNC(Cc1cccnc1)C(F)F
InChIInChI=1S/C9H12F2N2/c1-12-8(9(10)11)5-7-3-2-4-13-6-7/h2-4,6,8-9,12H,5H2,1H3
InChIKeyDNCLJGUTUKZYOA-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.48
Rot. Bonds4

About 1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine

1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 103759818) has the molecular formula C9H12F2N2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine
PubChem CID103759818
Molecular FormulaC9H12F2N2
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine
SMILESCNC(Cc1cccnc1)C(F)F
InChIInChI=1S/C9H12F2N2/c1-12-8(9(10)11)5-7-3-2-4-13-6-7/h2-4,6,8-9,12H,5H2,1H3
InChIKeyDNCLJGUTUKZYOA-UHFFFAOYSA-N
XLogP1.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516735
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine
CID 104736266
1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62552074
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 107513287
N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
CID 82540634
N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 79180331
1-(furan-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 63949985
4-methoxy-N-methyl-1-pyridin-3-ylbutan-2-amine
CID 115601894
3-(pyridin-3-ylmethyl)pyridine
CID 14762640

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine (CID 103759818) is 1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine is CNC(Cc1cccnc1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is DNCLJGUTUKZYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-12-8(9(10)11)5-7-3-2-4-13-6-7/h2-4,6,8-9,12H,5H2,1H3.
What are the key properties of 1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine?
1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 186.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 103759818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).