3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine

C15H20N2O — CID 103028668

IUPAC3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine
SMILESCOC(C)(C)CC(N)c1cccc2ncccc12
InChIInChI=1S/C15H20N2O/c1-15(2,18-3)10-13(16)11-6-4-8-14-12(11)7-5-9-17-14/h4-9,13H,10,16H2,1-3H3
InChIKeyUIMHWKSTKPQNGI-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.05
Rot. Bonds4

About 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine

3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine (PubChem CID 103028668) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine
PubChem CID103028668
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine
SMILESCOC(C)(C)CC(N)c1cccc2ncccc12
InChIInChI=1S/C15H20N2O/c1-15(2,18-3)10-13(16)11-6-4-8-14-12(11)7-5-9-17-14/h4-9,13H,10,16H2,1-3H3
InChIKeyUIMHWKSTKPQNGI-UHFFFAOYSA-N
XLogP3.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol
CID 103027648
(3-methoxy-3-methyl-1-quinolin-5-ylbutyl)hydrazine
CID 103025431
2-tert-butylsulfanyl-1-quinolin-5-ylethanamine
CID 81231907
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
(1R)-1-quinolin-5-ylethanamine
CID 55277010
4-methyl-1-quinolin-5-ylpentan-1-amine
CID 81232092
2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine
CID 81227594
N',N'-dimethyl-1-quinolin-5-ylpropane-1,3-diamine
CID 113291189
2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine
CID 81229140
2-(6-methoxy-3-pyridinyl)-1-quinolin-5-ylethanamine
CID 81229719
2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
CID 81227860

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine (CID 103028668) is 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine is COC(C)(C)CC(N)c1cccc2ncccc12.
What is the InChIKey of 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine?
The InChIKey is UIMHWKSTKPQNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,18-3)10-13(16)11-6-4-8-14-12(11)7-5-9-17-14/h4-9,13H,10,16H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine?
3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine is sourced from PubChem (CID 103028668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).