2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine

C16H22N2O — CID 116720092

IUPAC2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
SMILESCNC(c1ccc2ncccc2c1)C(OC)C(C)C
InChIInChI=1S/C16H22N2O/c1-11(2)16(19-4)15(17-3)13-7-8-14-12(10-13)6-5-9-18-14/h5-11,15-17H,1-4H3
InChIKeyASXGRSPQOGHQEO-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.17
Rot. Bonds5

About 2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine

2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine (PubChem CID 116720092) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
PubChem CID116720092
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
SMILESCNC(c1ccc2ncccc2c1)C(OC)C(C)C
InChIInChI=1S/C16H22N2O/c1-11(2)16(19-4)15(17-3)13-7-8-14-12(10-13)6-5-9-18-14/h5-11,15-17H,1-4H3
InChIKeyASXGRSPQOGHQEO-UHFFFAOYSA-N
XLogP3.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine 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

2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
CID 116721238
2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine
CID 116725636
N-ethyl-2,2-dimethoxy-1-quinolin-6-ylethanamine
CID 81232075
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile
CID 63968719
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
6-(1-nitrosoethyl)quinoline
CID 54028651
methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
CID 171864271
2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine
CID 116721032
1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720003
N-methyl-1-(2-methylpyrimidin-4-yl)-1-quinolin-6-ylmethanamine
CID 115530668

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine?
The IUPAC name of 2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine (CID 116720092) is 2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine.
What is the SMILES notation for 2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine?
The canonical SMILES for 2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine is CNC(c1ccc2ncccc2c1)C(OC)C(C)C.
What is the InChIKey of 2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine?
The InChIKey is ASXGRSPQOGHQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)16(19-4)15(17-3)13-7-8-14-12(10-13)6-5-9-18-14/h5-11,15-17H,1-4H3.
What are the key properties of 2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine?
2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine is sourced from PubChem (CID 116720092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).