N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline

C18H15F3N2 — CID 174518869

IUPACN-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
SMILESCCNc1cccc(-c2ccnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C18H15F3N2/c1-2-22-13-6-3-5-12(11-13)14-9-10-23-17-15(14)7-4-8-16(17)18(19,20)21/h3-11,22H,2H2,1H3
InChIKeyUMZSYGXBSUVEHT-UHFFFAOYSA-N
MW316.33 g/mol
LogP5.35
Rot. Bonds3

About N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline

N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline (PubChem CID 174518869) has the molecular formula C18H15F3N2 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline.

Molecular Properties

Compound NameN-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
PubChem CID174518869
Molecular FormulaC18H15F3N2
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
SMILESCCNc1cccc(-c2ccnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C18H15F3N2/c1-2-22-13-6-3-5-12(11-13)14-9-10-23-17-15(14)7-4-8-16(17)18(19,20)21/h3-11,22H,2H2,1H3
InChIKeyUMZSYGXBSUVEHT-UHFFFAOYSA-N
XLogP5.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.33
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol
CID 174518736
N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 90903736
N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174504635
N-[(3-nitrophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518806
4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline
CID 174518716
6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid
CID 25224643
[4-[3-(ethylamino)phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66914483
2-(aminomethyl)-N-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methyl]aniline
CID 174518717
4-[3-(4-fluoro-3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
CID 46887891
4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
CID 66914046
N-propan-2-yl-3-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]benzenesulfonamide
CID 68875904
2-[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalen-1-yl]acetic acid
CID 25225379

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline?
The IUPAC name of N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline (CID 174518869) is N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline.
What is the SMILES notation for N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline?
The canonical SMILES for N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline is CCNc1cccc(-c2ccnc3c(C(F)(F)F)cccc23)c1.
What is the InChIKey of N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline?
The InChIKey is UMZSYGXBSUVEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2/c1-2-22-13-6-3-5-12(11-13)14-9-10-23-17-15(14)7-4-8-16(17)18(19,20)21/h3-11,22H,2H2,1H3.
What are the key properties of N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline?
N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline has a molecular weight of 316.33 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline is sourced from PubChem (CID 174518869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).