6-tert-butyl-3-chloroquinolin-2-amine

C13H15ClN2 — CID 155185103

IUPAC6-tert-butyl-3-chloroquinolin-2-amine
SMILESCC(C)(C)c1ccc2nc(N)c(Cl)cc2c1
InChIInChI=1S/C13H15ClN2/c1-13(2,3)9-4-5-11-8(6-9)7-10(14)12(15)16-11/h4-7H,1-3H3,(H2,15,16)
InChIKeyPPWVTPOJXJJZLF-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.77
Rot. Bonds

About 6-tert-butyl-3-chloroquinolin-2-amine

6-tert-butyl-3-chloroquinolin-2-amine (PubChem CID 155185103) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 6-tert-butyl-3-chloroquinolin-2-amine.

Molecular Properties

Compound Name6-tert-butyl-3-chloroquinolin-2-amine
PubChem CID155185103
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name6-tert-butyl-3-chloroquinolin-2-amine
SMILESCC(C)(C)c1ccc2nc(N)c(Cl)cc2c1
InChIInChI=1S/C13H15ClN2/c1-13(2,3)9-4-5-11-8(6-9)7-10(14)12(15)16-11/h4-7H,1-3H3,(H2,15,16)
InChIKeyPPWVTPOJXJJZLF-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6-fluoroquinolin-2-amine
CID 155623359
7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine
CID 155185035
2,7-ditert-butylphenazine
CID 59610780
6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline
CID 156783021
3-bromo-6-(trifluoromethyl)quinolin-2-amine
CID 97181843
3,6-ditert-butyl-N-methylquinolin-2-amine
CID 63382437
6-tert-butylquinazolin-4-amine
CID 58008725
2-(2-chloroquinolin-6-yl)propan-2-ol
CID 164550082
2-tert-butyl-9-chloroacridine
CID 620349
3-chloro-7-(2-methylpropyl)quinolin-2-amine
CID 166974012
3-chloro-7-(methylaminomethyl)quinolin-2-amine
CID 171501431
6-tert-butylthieno[2,3-b]quinoline-2-carboxamide
CID 11854062

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-chloroquinolin-2-amine?
The IUPAC name of 6-tert-butyl-3-chloroquinolin-2-amine (CID 155185103) is 6-tert-butyl-3-chloroquinolin-2-amine.
What is the SMILES notation for 6-tert-butyl-3-chloroquinolin-2-amine?
The canonical SMILES for 6-tert-butyl-3-chloroquinolin-2-amine is CC(C)(C)c1ccc2nc(N)c(Cl)cc2c1.
What is the InChIKey of 6-tert-butyl-3-chloroquinolin-2-amine?
The InChIKey is PPWVTPOJXJJZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-13(2,3)9-4-5-11-8(6-9)7-10(14)12(15)16-11/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 6-tert-butyl-3-chloroquinolin-2-amine?
6-tert-butyl-3-chloroquinolin-2-amine has a molecular weight of 234.73 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-chloroquinolin-2-amine is sourced from PubChem (CID 155185103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).