N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine

C18H15F3N2O — CID 146295747

IUPACN-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine
SMILESCCc1cc(OC(F)(F)F)ccc1Nc1ccc2ccccc2n1
InChIInChI=1S/C18H15F3N2O/c1-2-12-11-14(24-18(19,20)21)8-9-16(12)23-17-10-7-13-5-3-4-6-15(13)22-17/h3-11H,2H2,1H3,(H,22,23)
InChIKeyQJWSREUQGRCBMB-UHFFFAOYSA-N
MW332.33 g/mol
LogP5.44
Rot. Bonds4

About N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine

N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine (PubChem CID 146295747) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine
PubChem CID146295747
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC NameN-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine
SMILESCCc1cc(OC(F)(F)F)ccc1Nc1ccc2ccccc2n1
InChIInChI=1S/C18H15F3N2O/c1-2-12-11-14(24-18(19,20)21)8-9-16(12)23-17-10-7-13-5-3-4-6-15(13)22-17/h3-11H,2H2,1H3,(H,22,23)
InChIKeyQJWSREUQGRCBMB-UHFFFAOYSA-N
XLogP5.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.33
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine
CID 158632343
N-(2,3,4-trifluorophenyl)quinolin-2-amine
CID 2320272
4-(quinolin-2-ylamino)benzene-1,3-dicarboxylic acid
CID 154113616
1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099
2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene
CID 170998693
methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium
CID 118665746
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
N-(4-propan-2-yloxyphenyl)quinolin-2-amine
CID 82535846
N-[4-(4-fluorophenoxy)phenyl]quinolin-2-amine
CID 146295745
1-methyl-7-(trifluoromethoxy)naphthalene
CID 118830496

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine?
The IUPAC name of N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine (CID 146295747) is N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine.
What is the SMILES notation for N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine?
The canonical SMILES for N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine is CCc1cc(OC(F)(F)F)ccc1Nc1ccc2ccccc2n1.
What is the InChIKey of N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine?
The InChIKey is QJWSREUQGRCBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-2-12-11-14(24-18(19,20)21)8-9-16(12)23-17-10-7-13-5-3-4-6-15(13)22-17/h3-11H,2H2,1H3,(H,22,23).
What are the key properties of N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine?
N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine has a molecular weight of 332.33 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine is sourced from PubChem (CID 146295747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).