1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C14H17F3N4 — CID 114688165

IUPAC1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCCn1nncc1C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N4/c1-2-6-21-13(9-19-20-21)12(18)8-10-4-3-5-11(7-10)14(15,16)17/h3-5,7,9,12H,2,6,8,18H2,1H3
InChIKeyYZBROYMSARDNQA-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.95
Rot. Bonds5

About 1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 114688165) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID114688165
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCCn1nncc1C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N4/c1-2-6-21-13(9-19-20-21)12(18)8-10-4-3-5-11(7-10)14(15,16)17/h3-5,7,9,12H,2,6,8,18H2,1H3
InChIKeyYZBROYMSARDNQA-UHFFFAOYSA-N
XLogP2.95
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687287
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123659
2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 105038776
1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123435
N-methyl-1-(3-propyltriazol-4-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105038531
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114688446
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
2-(3-bromophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688248
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807

Frequently Asked Questions

What is the IUPAC name of 1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 114688165) is 1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is CCCn1nncc1C(N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is YZBROYMSARDNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-2-6-21-13(9-19-20-21)12(18)8-10-4-3-5-11(7-10)14(15,16)17/h3-5,7,9,12H,2,6,8,18H2,1H3.
What are the key properties of 1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 298.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 114688165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).