1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine

C16H22N2O — CID 105378496

IUPAC1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine
SMILESCCC(COC)NCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2O/c1-4-15(11-19-3)17-10-13-6-8-16-14(9-13)7-5-12(2)18-16/h5-9,15,17H,4,10-11H2,1-3H3
InChIKeyHVXOZIGZKTZCIX-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.06
Rot. Bonds6

About 1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine

1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine (PubChem CID 105378496) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine
PubChem CID105378496
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine
SMILESCCC(COC)NCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2O/c1-4-15(11-19-3)17-10-13-6-8-16-14(9-13)7-5-12(2)18-16/h5-9,15,17H,4,10-11H2,1-3H3
InChIKeyHVXOZIGZKTZCIX-UHFFFAOYSA-N
XLogP3.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-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

3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine
CID 105378393
N-[(3-chloro-4-methylphenyl)methyl]-1-methoxybutan-2-amine
CID 106816854
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine
CID 105378632
1-methoxy-2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-2-amine
CID 105378674
3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine
CID 105378521
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
(1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378594
2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378678
3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol
CID 95366317
[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol
CID 115717750

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine?
The IUPAC name of 1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine (CID 105378496) is 1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine?
The canonical SMILES for 1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine is CCC(COC)NCc1ccc2nc(C)ccc2c1.
What is the InChIKey of 1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine?
The InChIKey is HVXOZIGZKTZCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-15(11-19-3)17-10-13-6-8-16-14(9-13)7-5-12(2)18-16/h5-9,15,17H,4,10-11H2,1-3H3.
What are the key properties of 1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine?
1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine is sourced from PubChem (CID 105378496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).