1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol

C16H17F3N2O — CID 91075369

IUPAC1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol
SMILESC=CCNCC(O)c1cc(C)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C16H17F3N2O/c1-3-7-20-9-14(22)12-8-10(2)21-15-11(12)5-4-6-13(15)16(17,18)19/h3-6,8,14,20,22H,1,7,9H2,2H3
InChIKeyASZQUWKXJMGHMW-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.37
Rot. Bonds5

About 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol

1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol (PubChem CID 91075369) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol.

Molecular Properties

Compound Name1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol
PubChem CID91075369
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol
SMILESC=CCNCC(O)c1cc(C)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C16H17F3N2O/c1-3-7-20-9-14(22)12-8-10(2)21-15-11(12)5-4-6-13(15)16(17,18)19/h3-6,8,14,20,22H,1,7,9H2,2H3
InChIKeyASZQUWKXJMGHMW-UHFFFAOYSA-N
XLogP3.37
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 70822787
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol
CID 54578090
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(octylamino)ethanol
CID 88920621
2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 155554789
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(but-3-ynylamino)ethanol
CID 155566747
1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine
CID 82575830
5-[2-[[2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-hydroxyethyl]amino]ethyl]-2-methylphenol
CID 90734320
2-(4-iminoazepan-1-yl)-1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanol
CID 90691629
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[1-(tert-butylamino)propan-2-ylamino]ethanol
CID 54577873
2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane
CID 142222859
2-[(1-ethylpiperidin-4-yl)methylamino]-1-[2-(fluoromethyl)-8-(trifluoromethyl)quinolin-4-yl]ethanol
CID 70822571
2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 71588119

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol?
The IUPAC name of 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol (CID 91075369) is 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol.
What is the SMILES notation for 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol?
The canonical SMILES for 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol is C=CCNCC(O)c1cc(C)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol?
The InChIKey is ASZQUWKXJMGHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-3-7-20-9-14(22)12-8-10(2)21-15-11(12)5-4-6-13(15)16(17,18)19/h3-6,8,14,20,22H,1,7,9H2,2H3.
What are the key properties of 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol?
1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol has a molecular weight of 310.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol is sourced from PubChem (CID 91075369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).