2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine

C13H16F2N4 — CID 105038776

IUPAC2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(N)Cc1cccc(F)c1F
InChIInChI=1S/C13H16F2N4/c1-2-6-19-12(8-17-18-19)11(16)7-9-4-3-5-10(14)13(9)15/h3-5,8,11H,2,6-7,16H2,1H3
InChIKeyYBVSEKSYCVWNJF-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.21
Rot. Bonds5

About 2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine

2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 105038776) has the molecular formula C13H16F2N4 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine
PubChem CID105038776
Molecular FormulaC13H16F2N4
Molecular Weight266.29 g/mol
Exact Mass266.13
IUPAC Name2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(N)Cc1cccc(F)c1F
InChIInChI=1S/C13H16F2N4/c1-2-6-19-12(8-17-18-19)11(16)7-9-4-3-5-10(14)13(9)15/h3-5,8,11H,2,6-7,16H2,1H3
InChIKeyYBVSEKSYCVWNJF-UHFFFAOYSA-N
XLogP2.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686351
(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 114688165
2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105137759
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687287
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
(2-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 115834049
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687612
N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114688446

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine (CID 105038776) is 2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1C(N)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is YBVSEKSYCVWNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-2-6-19-12(8-17-18-19)11(16)7-9-4-3-5-10(14)13(9)15/h3-5,8,11H,2,6-7,16H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine?
2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 266.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 105038776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).