1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine

C16H22N2O — CID 82575836

IUPAC1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine
SMILESCc1cc(C(C)N)c2cc(OCC(C)C)ccc2n1
InChIInChI=1S/C16H22N2O/c1-10(2)9-19-13-5-6-16-15(8-13)14(12(4)17)7-11(3)18-16/h5-8,10,12H,9,17H2,1-4H3
InChIKeyYHSNAAOEKUZOPB-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.60
Rot. Bonds4

About 1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine

1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine (PubChem CID 82575836) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine
PubChem CID82575836
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine
SMILESCc1cc(C(C)N)c2cc(OCC(C)C)ccc2n1
InChIInChI=1S/C16H22N2O/c1-10(2)9-19-13-5-6-16-15(8-13)14(12(4)17)7-11(3)18-16/h5-8,10,12H,9,17H2,1-4H3
InChIKeyYHSNAAOEKUZOPB-UHFFFAOYSA-N
XLogP3.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine 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

[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]methanamine
CID 82573659
1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine
CID 82577540
ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate
CID 82580047
2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]ethanamine
CID 82575578
4-methyl-6-(2-methylpropoxy)quinoline
CID 82580912
4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine
CID 82577769
1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine
CID 83988813
2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline
CID 22641435
methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate
CID 82575144
6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride
CID 163277411
2-methyl-6-(2-methylpropoxy)-1,3-benzothiazole
CID 58125430
2-methyl-6-propoxyquinolin-4-amine
CID 62329208

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine?
The IUPAC name of 1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine (CID 82575836) is 1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine.
What is the SMILES notation for 1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine?
The canonical SMILES for 1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine is Cc1cc(C(C)N)c2cc(OCC(C)C)ccc2n1.
What is the InChIKey of 1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine?
The InChIKey is YHSNAAOEKUZOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10(2)9-19-13-5-6-16-15(8-13)14(12(4)17)7-11(3)18-16/h5-8,10,12H,9,17H2,1-4H3.
What are the key properties of 1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine?
1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine has a molecular weight of 258.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine is sourced from PubChem (CID 82575836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).