1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine

C8H10F2N2O — CID 162524387

IUPAC1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine
SMILESCC(N)c1ccnc(OC(F)F)c1
InChIInChI=1S/C8H10F2N2O/c1-5(11)6-2-3-12-7(4-6)13-8(9)10/h2-5,8H,11H2,1H3
InChIKeyBBRVVNQJVMAQMH-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.70
Rot. Bonds3

About 1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine

1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine (PubChem CID 162524387) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine
PubChem CID162524387
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine
SMILESCC(N)c1ccnc(OC(F)F)c1
InChIInChI=1S/C8H10F2N2O/c1-5(11)6-2-3-12-7(4-6)13-8(9)10/h2-5,8H,11H2,1H3
InChIKeyBBRVVNQJVMAQMH-UHFFFAOYSA-N
XLogP1.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-4-methylpyridine;ethane
CID 157031932
1-[2-(difluoromethyl)-4-pyridinyl]ethanamine
CID 84654362
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 104940722
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine
CID 104562671
N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505619
4-[(1R)-1-aminoethyl]pyridin-2-amine
CID 55274055
(1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine
CID 114248487
1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 116689319
1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine
CID 107099915
(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine
CID 97053211
1-[2-(aminomethyl)-4-pyridinyl]ethanamine
CID 142264810
2-(difluoromethoxy)pyridine-4-carbaldehyde
CID 71302320

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine (CID 162524387) is 1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine is CC(N)c1ccnc(OC(F)F)c1.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine?
The InChIKey is BBRVVNQJVMAQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-5(11)6-2-3-12-7(4-6)13-8(9)10/h2-5,8H,11H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine?
1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine has a molecular weight of 188.18 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine is sourced from PubChem (CID 162524387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).