(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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).