8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine

C17H12ClF3N2O — CID 177312689

IUPAC8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine
SMILESFC(F)(F)Oc1ccc(CNc2ccc3cccc(Cl)c3n2)cc1
InChIInChI=1S/C17H12ClF3N2O/c18-14-3-1-2-12-6-9-15(23-16(12)14)22-10-11-4-7-13(8-5-11)24-17(19,20)21/h1-9H,10H2,(H,22,23)
InChIKeyPKSBWXXCPHULHC-UHFFFAOYSA-N
MW352.74 g/mol
LogP5.40
Rot. Bonds4

About 8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine

8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine (PubChem CID 177312689) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is 8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine
PubChem CID177312689
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC Name8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine
SMILESFC(F)(F)Oc1ccc(CNc2ccc3cccc(Cl)c3n2)cc1
InChIInChI=1S/C17H12ClF3N2O/c18-14-3-1-2-12-6-9-15(23-16(12)14)22-10-11-4-7-13(8-5-11)24-17(19,20)21/h1-9H,10H2,(H,22,23)
InChIKeyPKSBWXXCPHULHC-UHFFFAOYSA-N
XLogP5.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.74
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline
CID 177312715
[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium
CID 118665746
8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
CID 170993950
N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 177312697
N-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 30055205
2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107596990
[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]urea
CID 177312661
N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine
CID 91213014
3-chloro-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 28938361
2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80523929
N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-yn-1-amine
CID 158554259
6-(2-chloro-6-fluorophenyl)-4-N-[(4-chlorophenyl)methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 87103882

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine?
The IUPAC name of 8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine (CID 177312689) is 8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine.
What is the SMILES notation for 8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine?
The canonical SMILES for 8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine is FC(F)(F)Oc1ccc(CNc2ccc3cccc(Cl)c3n2)cc1.
What is the InChIKey of 8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine?
The InChIKey is PKSBWXXCPHULHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c18-14-3-1-2-12-6-9-15(23-16(12)14)22-10-11-4-7-13(8-5-11)24-17(19,20)21/h1-9H,10H2,(H,22,23).
What are the key properties of 8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine?
8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine has a molecular weight of 352.74 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine is sourced from PubChem (CID 177312689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).