N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine

C14H22F2N2O — CID 150867145

IUPACN-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine
SMILESCc1cc(C(C)NC(C)(C)C)cnc1OCC(F)F
InChIInChI=1S/C14H22F2N2O/c1-9-6-11(10(2)18-14(3,4)5)7-17-13(9)19-8-12(15)16/h6-7,10,12,18H,8H2,1-5H3
InChIKeyKTHGMSQSWUGNRC-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.48
Rot. Bonds5

About N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine

N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine (PubChem CID 150867145) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine
PubChem CID150867145
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine
SMILESCc1cc(C(C)NC(C)(C)C)cnc1OCC(F)F
InChIInChI=1S/C14H22F2N2O/c1-9-6-11(10(2)18-14(3,4)5)7-17-13(9)19-8-12(15)16/h6-7,10,12,18H,8H2,1-5H3
InChIKeyKTHGMSQSWUGNRC-UHFFFAOYSA-N
XLogP3.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine (CID 150867145) is N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine is Cc1cc(C(C)NC(C)(C)C)cnc1OCC(F)F.
What is the InChIKey of N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is KTHGMSQSWUGNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O/c1-9-6-11(10(2)18-14(3,4)5)7-17-13(9)19-8-12(15)16/h6-7,10,12,18H,8H2,1-5H3.
What are the key properties of N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine?
N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 272.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 150867145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).