2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine

C13H20F2N2 — CID 114249556

IUPAC2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine
SMILESCCCNC(C(C)c1ccccn1)C(C)(F)F
InChIInChI=1S/C13H20F2N2/c1-4-8-17-12(13(3,14)15)10(2)11-7-5-6-9-16-11/h5-7,9-10,12,17H,4,8H2,1-3H3
InChIKeyFAEVIYDTHCEUEW-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.21
Rot. Bonds6

About 2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine

2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine (PubChem CID 114249556) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine.

Molecular Properties

Compound Name2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine
PubChem CID114249556
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine
SMILESCCCNC(C(C)c1ccccn1)C(C)(F)F
InChIInChI=1S/C13H20F2N2/c1-4-8-17-12(13(3,14)15)10(2)11-7-5-6-9-16-11/h5-7,9-10,12,17H,4,8H2,1-3H3
InChIKeyFAEVIYDTHCEUEW-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine
CID 66447424
2,2-dimethyl-N-propyl-1-pyridin-2-ylpropan-1-amine
CID 62395548
N,4-dipropyl-2-pyridin-2-ylheptan-3-amine
CID 82987036
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627
N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 62802656
1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447426
1-(2-methylfuran-3-yl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66448009
N-propyl-2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 66446839
1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447432
1-(2-methylcyclopentyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 107179902
1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine
CID 66446842
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine?
The IUPAC name of 2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine (CID 114249556) is 2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine.
What is the SMILES notation for 2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine?
The canonical SMILES for 2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine is CCCNC(C(C)c1ccccn1)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine?
The InChIKey is FAEVIYDTHCEUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-4-8-17-12(13(3,14)15)10(2)11-7-5-6-9-16-11/h5-7,9-10,12,17H,4,8H2,1-3H3.
What are the key properties of 2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine?
2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine has a molecular weight of 242.31 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine is sourced from PubChem (CID 114249556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).