(2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine

C16H18BrF3N2O2 — CID 69317048

IUPAC(2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(OC[C@@H](C)N)c(Br)ccc2n1
InChIInChI=1S/C16H18BrF3N2O2/c1-8(2)24-13-6-10(16(18,19)20)14-12(22-13)5-4-11(17)15(14)23-7-9(3)21/h4-6,8-9H,7,21H2,1-3H3/t9-/m1/s1
InChIKeyFFHPFQSSYMXVLC-SECBINFHSA-N
MW407.23 g/mol
LogP4.53
Rot. Bonds5

About (2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine

(2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine (PubChem CID 69317048) has the molecular formula C16H18BrF3N2O2 and a molecular weight of 407.23 g/mol. Its IUPAC name is (2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine.

Molecular Properties

Compound Name(2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine
PubChem CID69317048
Molecular FormulaC16H18BrF3N2O2
Molecular Weight407.23 g/mol
Exact Mass406.05
IUPAC Name(2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(OC[C@@H](C)N)c(Br)ccc2n1
InChIInChI=1S/C16H18BrF3N2O2/c1-8(2)24-13-6-10(16(18,19)20)14-12(22-13)5-4-11(17)15(14)23-7-9(3)21/h4-6,8-9H,7,21H2,1-3H3/t9-/m1/s1
InChIKeyFFHPFQSSYMXVLC-SECBINFHSA-N
XLogP4.53
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine with MolForge

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Related Compounds

2-[6-bromo-2-(4-propoxyphenyl)quinolin-4-yl]oxy-N,N-diethylethanamine
CID 168296012
4-bromo-N-[3-(6-bromo-2-ethylquinolin-4-yl)oxypropyl]aniline
CID 178300366
1-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxybutan-2-amine
CID 21094336
2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine
CID 21094337
(1R)-2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxy-1-phenylethanamine
CID 21094339
tert-butyl N-[1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxybutyl]carbamate
CID 21094340
tert-butyl N-[1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentyl]carbamate
CID 21094341
tert-butyl N-[1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropyl]carbamate
CID 21094342
tert-butyl N-[(1R)-2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxy-1-phenylethyl]carbamate
CID 21094343
tert-butyl N-[1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethyl]carbamate
CID 21094346
3,4-dihydro-8-isopropoxy-10-(trifluoromethyl)-2H-[1,4]oxazino[2,3-f]quinoline
CID 21094349
2-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine
CID 21094350

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine?
The IUPAC name of (2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine (CID 69317048) is (2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine.
What is the SMILES notation for (2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine?
The canonical SMILES for (2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine is CC(C)Oc1cc(C(F)(F)F)c2c(OC[C@@H](C)N)c(Br)ccc2n1.
What is the InChIKey of (2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine?
The InChIKey is FFHPFQSSYMXVLC-SECBINFHSA-N. The full InChI is InChI=1S/C16H18BrF3N2O2/c1-8(2)24-13-6-10(16(18,19)20)14-12(22-13)5-4-11(17)15(14)23-7-9(3)21/h4-6,8-9H,7,21H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine?
(2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine has a molecular weight of 407.23 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine is sourced from PubChem (CID 69317048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).