2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine

C15H16BrF3N2O2 — CID 21094383

IUPAC2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(OCCN)c(Br)ccc2n1
InChIInChI=1S/C15H16BrF3N2O2/c1-8(2)23-12-7-9(15(17,18)19)13-11(21-12)4-3-10(16)14(13)22-6-5-20/h3-4,7-8H,5-6,20H2,1-2H3
InChIKeyPTXJVHPOHPONJQ-UHFFFAOYSA-N
MW393.20 g/mol
LogP4.14
Rot. Bonds5

About 2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine

2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine (PubChem CID 21094383) has the molecular formula C15H16BrF3N2O2 and a molecular weight of 393.20 g/mol. Its IUPAC name is 2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine.

Molecular Properties

Compound Name2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine
PubChem CID21094383
Molecular FormulaC15H16BrF3N2O2
Molecular Weight393.20 g/mol
Exact Mass392.03
IUPAC Name2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(OCCN)c(Br)ccc2n1
InChIInChI=1S/C15H16BrF3N2O2/c1-8(2)23-12-7-9(15(17,18)19)13-11(21-12)4-3-10(16)14(13)22-6-5-20/h3-4,7-8H,5-6,20H2,1-2H3
InChIKeyPTXJVHPOHPONJQ-UHFFFAOYSA-N
XLogP4.14
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine with MolForge

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

Launch Full Analysis

Related Compounds

CID 168296012
CID 168296012
CID 178300366
CID 178300366
CID 21094336
CID 21094336
CID 21094337
CID 21094337
CID 21094339
CID 21094339
CID 21094340
CID 21094340
CID 21094341
CID 21094341
CID 21094342
CID 21094342
CID 21094343
CID 21094343
CID 21094346
CID 21094346
CID 21094349
CID 21094349
CID 21094350
CID 21094350

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine?
The IUPAC name of 2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine (CID 21094383) is 2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine.
What is the SMILES notation for 2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine?
The canonical SMILES for 2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine is CC(C)Oc1cc(C(F)(F)F)c2c(OCCN)c(Br)ccc2n1.
What is the InChIKey of 2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine?
The InChIKey is PTXJVHPOHPONJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF3N2O2/c1-8(2)23-12-7-9(15(17,18)19)13-11(21-12)4-3-10(16)14(13)22-6-5-20/h3-4,7-8H,5-6,20H2,1-2H3.
What are the key properties of 2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine?
2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine has a molecular weight of 393.20 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxyethanamine is sourced from PubChem (CID 21094383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).