4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine

C15H20N2O — CID 62733913

IUPAC4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
SMILESCOCCC(C)NCc1ccc2ncccc2c1
InChIInChI=1S/C15H20N2O/c1-12(7-9-18-2)17-11-13-5-6-15-14(10-13)4-3-8-16-15/h3-6,8,10,12,17H,7,9,11H2,1-2H3
InChIKeyBLKVWEBSQDZSNW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.75
Rot. Bonds6

About 4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine

4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine (PubChem CID 62733913) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
PubChem CID62733913
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
SMILESCOCCC(C)NCc1ccc2ncccc2c1
InChIInChI=1S/C15H20N2O/c1-12(7-9-18-2)17-11-13-5-6-15-14(10-13)4-3-8-16-15/h3-6,8,10,12,17H,7,9,11H2,1-2H3
InChIKeyBLKVWEBSQDZSNW-UHFFFAOYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine
CID 60659039
cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine
CID 143817752
(1S)-1-(4-bromophenyl)-N-(quinolin-6-ylmethyl)ethanamine
CID 81356181
(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine
CID 81388844
4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol
CID 104881409
N,N-dimethyl-2-(quinolin-6-ylmethylamino)propanamide
CID 61464425
6-(2-methoxyethylsulfanylmethyl)quinoline
CID 136532204
4-methoxy-1-quinolin-6-ylbutan-1-amine
CID 78924718
N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
CID 115595956
1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine
CID 103769027
N-propyl-2-(quinolin-6-ylmethylamino)propanamide
CID 60659073
4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine
CID 62734283

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine?
The IUPAC name of 4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine (CID 62733913) is 4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine?
The canonical SMILES for 4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine is COCCC(C)NCc1ccc2ncccc2c1.
What is the InChIKey of 4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine?
The InChIKey is BLKVWEBSQDZSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(7-9-18-2)17-11-13-5-6-15-14(10-13)4-3-8-16-15/h3-6,8,10,12,17H,7,9,11H2,1-2H3.
What are the key properties of 4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine?
4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine is sourced from PubChem (CID 62733913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).