N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine

C15H19BrN2 — CID 82449062

IUPACN-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine
SMILESCCCCNCc1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C15H19BrN2/c1-3-4-7-17-10-12-8-11(2)18-15-6-5-13(16)9-14(12)15/h5-6,8-9,17H,3-4,7,10H2,1-2H3
InChIKeySSUAYMCVXBNQEN-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.20
Rot. Bonds5

About N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine

N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine (PubChem CID 82449062) 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-1-amine.

Molecular Properties

Compound NameN-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine
PubChem CID82449062
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC NameN-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine
SMILESCCCCNCc1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C15H19BrN2/c1-3-4-7-17-10-12-8-11(2)18-15-6-5-13(16)9-14(12)15/h5-6,8-9,17H,3-4,7,10H2,1-2H3
InChIKeySSUAYMCVXBNQEN-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine
CID 82449750
N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449064
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
N-[(6-chloro-2-methylquinolin-4-yl)methyl]ethanamine
CID 82449107
6-bromo-N,N-diethyl-2-methylquinolin-4-amine
CID 110434316
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]-2-methylpropan-1-amine
CID 82448230
N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine
CID 82448776
N-[(5-bromo-2-methylphenyl)methyl]propan-1-amine
CID 65307998
2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 79033204
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321
2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide
CID 78942753

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine?
The IUPAC name of N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine (CID 82449062) is N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine is CCCCNCc1cc(C)nc2ccc(Br)cc12.
What is the InChIKey of N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine?
The InChIKey is SSUAYMCVXBNQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-3-4-7-17-10-12-8-11(2)18-15-6-5-13(16)9-14(12)15/h5-6,8-9,17H,3-4,7,10H2,1-2H3.
What are the key properties of N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine?
N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine has a molecular weight of 307.24 g/mol, XLogP of 4.20, 5 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-1-amine is sourced from PubChem (CID 82449062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).