N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine

C12H18F2N2 — CID 157214507

IUPACN-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine
SMILESCc1c(NCC(C)(F)F)cncc1C(C)C
InChIInChI=1S/C12H18F2N2/c1-8(2)10-5-15-6-11(9(10)3)16-7-12(4,13)14/h5-6,8,16H,7H2,1-4H3
InChIKeySTEZPPYOAQJASM-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.58
Rot. Bonds4

About N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine

N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine (PubChem CID 157214507) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine
PubChem CID157214507
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC NameN-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine
SMILESCc1c(NCC(C)(F)F)cncc1C(C)C
InChIInChI=1S/C12H18F2N2/c1-8(2)10-5-15-6-11(9(10)3)16-7-12(4,13)14/h5-6,8,16H,7H2,1-4H3
InChIKeySTEZPPYOAQJASM-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methyl-5-propan-2-yl-3-pyridinyl)methyl]methanimine
CID 174274962
4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
CID 164651998
N-ethyl-4-propan-2-ylpyridin-3-amine
CID 142196462
6-tert-butyl-4-propan-2-ylisoquinoline
CID 138650094
[1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane
CID 134286515
4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine
CID 89458114
8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane]
CID 155726927
(S)-N-[(1R)-1-(5-bromo-4-methyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 125498989
2-methyl-1-(2-propan-2-ylanilino)propan-2-ol
CID 39241882
3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine
CID 106296062
3-propan-2-yl-4-(trifluoromethoxy)pyridine
CID 138513813
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine?
The IUPAC name of N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine (CID 157214507) is N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine.
What is the SMILES notation for N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine?
The canonical SMILES for N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine is Cc1c(NCC(C)(F)F)cncc1C(C)C.
What is the InChIKey of N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine?
The InChIKey is STEZPPYOAQJASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-8(2)10-5-15-6-11(9(10)3)16-7-12(4,13)14/h5-6,8,16H,7H2,1-4H3.
What are the key properties of N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine?
N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine has a molecular weight of 228.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-4-methyl-5-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 157214507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).