N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine

C11H16F2N2O — CID 79782331

IUPACN-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCC(F)F)cn1
InChIInChI=1S/C11H16F2N2O/c1-8(2)14-5-9-3-4-10(6-15-9)16-7-11(12)13/h3-4,6,8,11,14H,5,7H2,1-2H3
InChIKeyHOQYKUSHJPMUPM-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.22
Rot. Bonds6

About N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 79782331) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID79782331
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC NameN-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCC(F)F)cn1
InChIInChI=1S/C11H16F2N2O/c1-8(2)14-5-9-3-4-10(6-15-9)16-7-11(12)13/h3-4,6,8,11,14H,5,7H2,1-2H3
InChIKeyHOQYKUSHJPMUPM-UHFFFAOYSA-N
XLogP2.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781493
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711
N-[[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 116615138
N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781881
N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79784006
N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79775957
N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79784026
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782097
N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 107879639
N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79781312
N-[[5-[(3-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 103037879

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine (CID 79782331) is N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCC(F)F)cn1.
What is the InChIKey of N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is HOQYKUSHJPMUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-8(2)14-5-9-3-4-10(6-15-9)16-7-11(12)13/h3-4,6,8,11,14H,5,7H2,1-2H3.
What are the key properties of N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 230.26 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 79782331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).