N-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine

C12H18F2N2 — CID 135083050

IUPACN-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(F)(F)c1ccccn1
InChIInChI=1S/C12H18F2N2/c1-9(2)16(10(3)4)12(13,14)11-7-5-6-8-15-11/h5-10H,1-4H3
InChIKeyNOLIDMKVTJIMQD-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.25
Rot. Bonds4

About N-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine

N-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 135083050) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine
PubChem CID135083050
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC NameN-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(F)(F)c1ccccn1
InChIInChI=1S/C12H18F2N2/c1-9(2)16(10(3)4)12(13,14)11-7-5-6-8-15-11/h5-10H,1-4H3
InChIKeyNOLIDMKVTJIMQD-UHFFFAOYSA-N
XLogP3.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
fluoro(pyridin-2-yl)methanediamine
CID 67406744
2-(1,1-difluoropropyl)pyridine
CID 59088790
difluoro(pyridin-2-yl)methanamine
CID 83854913
2-(3-fluoro-5-methylhexan-3-yl)pyridine
CID 146397049
2-pyridin-2-ylbutane-2,3-diamine
CID 87362021
2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine
CID 146396997
ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol
CID 142343342
(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol
CID 162467836
2-[1,1,1-trifluoro-3-methyl-2-(2,2,2-trifluoroethoxy)butan-2-yl]pyridine
CID 146396976
2-tert-butylpyridine;ethane;methane
CID 143332153
bis(tert-butylbenzene);bis(2-tert-butylpyridine);ethane;1,1,1-trifluoroethane
CID 158321233

Frequently Asked Questions

What is the IUPAC name of N-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine (CID 135083050) is N-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)C(F)(F)c1ccccn1.
What is the InChIKey of N-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is NOLIDMKVTJIMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-9(2)16(10(3)4)12(13,14)11-7-5-6-8-15-11/h5-10H,1-4H3.
What are the key properties of N-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine?
N-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 228.29 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[difluoro(pyridin-2-yl)methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 135083050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).