1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine

C16H18F2N2O — CID 105034670

IUPAC1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H18F2N2O/c1-2-20-15(9-12-5-4-8-19-11-12)13-6-3-7-14(10-13)21-16(17)18/h3-8,10-11,15-16,20H,2,9H2,1H3
InChIKeyOQRXCQKGEKKQQY-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.58
Rot. Bonds7

About 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine

1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine (PubChem CID 105034670) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine
PubChem CID105034670
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H18F2N2O/c1-2-20-15(9-12-5-4-8-19-11-12)13-6-3-7-14(10-13)21-16(17)18/h3-8,10-11,15-16,20H,2,9H2,1H3
InChIKeyOQRXCQKGEKKQQY-UHFFFAOYSA-N
XLogP3.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907
1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029493
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 107946692
(1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 97096345
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034466
N-ethyl-1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171233
1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406
N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030005
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine (CID 105034670) is 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine is CCNC(Cc1cccnc1)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine?
The InChIKey is OQRXCQKGEKKQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-2-20-15(9-12-5-4-8-19-11-12)13-6-3-7-14(10-13)21-16(17)18/h3-8,10-11,15-16,20H,2,9H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine?
1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine has a molecular weight of 292.33 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 105034670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).