1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine

C16H22N2O — CID 82449834

IUPAC1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine
SMILESCOc1ccc2nc(C(C)(C)C)cc(C(C)N)c2c1
InChIInChI=1S/C16H22N2O/c1-10(17)12-9-15(16(2,3)4)18-14-7-6-11(19-5)8-13(12)14/h6-10H,17H2,1-5H3
InChIKeyZKIWOHOLUXYPQQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.56
Rot. Bonds2

About 1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine

1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine (PubChem CID 82449834) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine
PubChem CID82449834
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine
SMILESCOc1ccc2nc(C(C)(C)C)cc(C(C)N)c2c1
InChIInChI=1S/C16H22N2O/c1-10(17)12-9-15(16(2,3)4)18-14-7-6-11(19-5)8-13(12)14/h6-10H,17H2,1-5H3
InChIKeyZKIWOHOLUXYPQQ-UHFFFAOYSA-N
XLogP3.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-methoxyquinolin-4-amine
CID 55045942
2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
CID 82449826
4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline
CID 130248319
2-tert-butyl-6-methoxy-N-propylquinolin-4-amine
CID 63481474
1-(6-methoxy-2-methylquinazolin-4-yl)ethanamine
CID 105471312
(S)-(2-tert-butyl-6-methoxyquinolin-4-yl)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 122219340
1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine
CID 62196438
6-methoxy-N-methyl-4-propan-2-ylquinoline-2-carboxamide
CID 167327578
1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine
CID 82575836
2-(6-methoxy-2-methylquinolin-4-yl)propan-2-ol
CID 82449762
3-tert-butyl-1-(4-methoxyphenyl)-5-propan-2-ylpyrazole
CID 59766629

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine?
The IUPAC name of 1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine (CID 82449834) is 1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine.
What is the SMILES notation for 1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine?
The canonical SMILES for 1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine is COc1ccc2nc(C(C)(C)C)cc(C(C)N)c2c1.
What is the InChIKey of 1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine?
The InChIKey is ZKIWOHOLUXYPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10(17)12-9-15(16(2,3)4)18-14-7-6-11(19-5)8-13(12)14/h6-10H,17H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine?
1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine has a molecular weight of 258.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine is sourced from PubChem (CID 82449834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).