N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine

C15H19BrN2 — CID 82449064

IUPACN-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C15H19BrN2/c1-4-10(2)17-9-12-7-11(3)18-15-6-5-13(16)8-14(12)15/h5-8,10,17H,4,9H2,1-3H3
InChIKeyHHNZYULOXWJRED-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.19
Rot. Bonds4

About N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine

N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine (PubChem CID 82449064) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
PubChem CID82449064
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC NameN-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C15H19BrN2/c1-4-10(2)17-9-12-7-11(3)18-15-6-5-13(16)8-14(12)15/h5-8,10,17H,4,9H2,1-3H3
InChIKeyHHNZYULOXWJRED-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-ethyl-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82448231
N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine
CID 82449062
N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449013
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine
CID 78942763
N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449312
6-bromo-N,N-diethyl-2-methylquinolin-4-amine
CID 110434316
3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
CID 78998387
N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449656
N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78943040
N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine
CID 130198316
1-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943029

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine?
The IUPAC name of N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine (CID 82449064) is N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine is CCC(C)NCc1cc(C)nc2ccc(Br)cc12.
What is the InChIKey of N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine?
The InChIKey is HHNZYULOXWJRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-4-10(2)17-9-12-7-11(3)18-15-6-5-13(16)8-14(12)15/h5-8,10,17H,4,9H2,1-3H3.
What are the key properties of N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine?
N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine has a molecular weight of 307.24 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 82449064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).