1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine

C10H14F2N2 — CID 102869089

IUPAC1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine
SMILESCC(NCCc1ccncc1)C(F)F
InChIInChI=1S/C10H14F2N2/c1-8(10(11)12)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,8,10,14H,4,7H2,1H3
InChIKeyXLCHYLVNJABKFF-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.87
Rot. Bonds5

About 1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine

1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine (PubChem CID 102869089) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine
PubChem CID102869089
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine
SMILESCC(NCCc1ccncc1)C(F)F
InChIInChI=1S/C10H14F2N2/c1-8(10(11)12)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,8,10,14H,4,7H2,1H3
InChIKeyXLCHYLVNJABKFF-UHFFFAOYSA-N
XLogP1.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate
CID 79392378
methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
3-methyl-2-(2-pyridin-4-ylethylamino)butanoic acid
CID 60890928
1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 102869472
1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 65049563
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 64630354
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
CID 81402151

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine (CID 102869089) is 1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine is CC(NCCc1ccncc1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine?
The InChIKey is XLCHYLVNJABKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-8(10(11)12)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,8,10,14H,4,7H2,1H3.
What are the key properties of 1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine?
1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine has a molecular weight of 200.23 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine is sourced from PubChem (CID 102869089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).