3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine

C17H24N2O — CID 63385933

IUPAC3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine
SMILESCCCOc1ccc2nc(NC)c(C(C)(C)C)cc2c1
InChIInChI=1S/C17H24N2O/c1-6-9-20-13-7-8-15-12(10-13)11-14(17(2,3)4)16(18-5)19-15/h7-8,10-11H,6,9H2,1-5H3,(H,18,19)
InChIKeyFKVIJYPARNWHKO-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.36
Rot. Bonds4

About 3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine

3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine (PubChem CID 63385933) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine
PubChem CID63385933
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine
SMILESCCCOc1ccc2nc(NC)c(C(C)(C)C)cc2c1
InChIInChI=1S/C17H24N2O/c1-6-9-20-13-7-8-15-12(10-13)11-14(17(2,3)4)16(18-5)19-15/h7-8,10-11H,6,9H2,1-5H3,(H,18,19)
InChIKeyFKVIJYPARNWHKO-UHFFFAOYSA-N
XLogP4.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-ditert-butyl-N-methylquinolin-2-amine
CID 63382437
3-tert-butyl-N,6-dimethylquinolin-2-amine
CID 63382237
N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine
CID 63530385
1-tert-butyl-2-methyl-4-propoxybenzene
CID 170076191
1-tert-butyl-4-propoxy-2-(trifluoromethyl)benzene
CID 20605028
6-ethoxy-3-propan-2-yl-N-propylquinolin-2-amine
CID 63529698
1-(6-butoxy-3-methylquinolin-2-yl)-N-methylmethanamine
CID 82245720
5-propoxy-2,1,3-benzoxadiazole
CID 142905316
N-ethyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82105820
2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid
CID 19698626
N-ethyl-2-methyl-6-propoxyquinolin-4-amine
CID 55060024
2-bromo-6-propoxy-1,3-benzothiazole
CID 97033817

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine?
The IUPAC name of 3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine (CID 63385933) is 3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine?
The canonical SMILES for 3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine is CCCOc1ccc2nc(NC)c(C(C)(C)C)cc2c1.
What is the InChIKey of 3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine?
The InChIKey is FKVIJYPARNWHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-6-9-20-13-7-8-15-12(10-13)11-14(17(2,3)4)16(18-5)19-15/h7-8,10-11H,6,9H2,1-5H3,(H,18,19).
What are the key properties of 3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine?
3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine has a molecular weight of 272.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine is sourced from PubChem (CID 63385933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).