6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine

C15H19BrN2 — CID 107578725

IUPAC6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine
SMILESCc1cc2nc(C)c(C(C)C)c(N)c2c(C)c1Br
InChIInChI=1S/C15H19BrN2/c1-7(2)12-10(5)18-11-6-8(3)14(16)9(4)13(11)15(12)17/h6-7H,1-5H3,(H2,17,18)
InChIKeyNQUWFIHWMCOOJI-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.63
Rot. Bonds1

About 6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine

6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine (PubChem CID 107578725) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine
PubChem CID107578725
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine
SMILESCc1cc2nc(C)c(C(C)C)c(N)c2c(C)c1Br
InChIInChI=1S/C15H19BrN2/c1-7(2)12-10(5)18-11-6-8(3)14(16)9(4)13(11)15(12)17/h6-7H,1-5H3,(H2,17,18)
InChIKeyNQUWFIHWMCOOJI-UHFFFAOYSA-N
XLogP4.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine
CID 62913846
7-bromo-6,8-dimethyl-1,2,3,4-tetrahydroacridin-9-amine
CID 107578671
6-bromo-4-chloro-2,3,5,7-tetramethylquinoline
CID 107577474
8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine
CID 62914764
6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine
CID 62915309
4-bromo-2-fluoro-5-methyl-3-propan-2-ylaniline
CID 176725034
8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 62915674
7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
CID 113363415
(6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine
CID 107579034
2,4,6-trimethyl-3-propan-2-ylaniline
CID 121008425
6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine
CID 107628850
6-bromo-N,3,5,7-tetramethyl-2-(trifluoromethyl)quinolin-4-amine
CID 107578764

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine?
The IUPAC name of 6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine (CID 107578725) is 6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine?
The canonical SMILES for 6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine is Cc1cc2nc(C)c(C(C)C)c(N)c2c(C)c1Br.
What is the InChIKey of 6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine?
The InChIKey is NQUWFIHWMCOOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-7(2)12-10(5)18-11-6-8(3)14(16)9(4)13(11)15(12)17/h6-7H,1-5H3,(H2,17,18).
What are the key properties of 6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine?
6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine has a molecular weight of 307.24 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 107578725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).