N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine

C16H22N2O — CID 82449656

IUPACN-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C)nc2c(OC)cccc12
InChIInChI=1S/C16H22N2O/c1-5-11(2)17-10-13-9-12(3)18-16-14(13)7-6-8-15(16)19-4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyCUUVJWPAKXQLMK-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.44
Rot. Bonds5

About N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine

N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine (PubChem CID 82449656) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine
PubChem CID82449656
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C)nc2c(OC)cccc12
InChIInChI=1S/C16H22N2O/c1-5-11(2)17-10-13-9-12(3)18-16-14(13)7-6-8-15(16)19-4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyCUUVJWPAKXQLMK-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449013
1-(8-methoxy-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82449649
N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449312
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82447872
(2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51988522
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
CID 54849405
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82448955
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82448231
N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449064
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine
CID 82448987
(2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine
CID 51988595
N-(2-ethylphenyl)-8-methoxy-2-methylquinolin-4-amine;dihydrochloride
CID 45125627

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine?
The IUPAC name of N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine (CID 82449656) is N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine is CCC(C)NCc1cc(C)nc2c(OC)cccc12.
What is the InChIKey of N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine?
The InChIKey is CUUVJWPAKXQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-11(2)17-10-13-9-12(3)18-16-14(13)7-6-8-15(16)19-4/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine?
N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 82449656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).