3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine

C11H16F2N2O — CID 103149460

IUPAC3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1cccnc1
InChIInChI=1S/C11H16F2N2O/c1-14-10(4-6-16-8-11(12)13)9-3-2-5-15-7-9/h2-3,5,7,10-11,14H,4,6,8H2,1H3
InChIKeyRONNKVACFZITPC-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.01
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine

3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine (PubChem CID 103149460) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine
PubChem CID103149460
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1cccnc1
InChIInChI=1S/C11H16F2N2O/c1-14-10(4-6-16-8-11(12)13)9-3-2-5-15-7-9/h2-3,5,7,10-11,14H,4,6,8H2,1H3
InChIKeyRONNKVACFZITPC-UHFFFAOYSA-N
XLogP2.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine
CID 103150047
3-(2,2-difluoroethoxy)-N-methyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103149327
3-(methylamino)-3-pyridin-3-ylpropane-1-thiol
CID 116831467
3-(methylamino)-3-pyridin-3-ylpropan-1-ol
CID 64815324
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357
3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 103149318
3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
CID 103149216
3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine
CID 103149434
N-ethyl-3-methoxy-1-pyridin-3-ylpropan-1-amine
CID 61412717
[3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine
CID 103151752
3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 103207219
3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 103149424

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine (CID 103149460) is 3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine is CNC(CCOCC(F)F)c1cccnc1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine?
The InChIKey is RONNKVACFZITPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-14-10(4-6-16-8-11(12)13)9-3-2-5-15-7-9/h2-3,5,7,10-11,14H,4,6,8H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine?
3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine has a molecular weight of 230.26 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 103149460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).