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

C15H19BrN2 — CID 82449013

IUPACN-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C)nc2c(Br)cccc12
InChIInChI=1S/C15H19BrN2/c1-4-10(2)17-9-12-8-11(3)18-15-13(12)6-5-7-14(15)16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyMJIZSVGKBOEPBN-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.19
Rot. Bonds4

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

N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine (PubChem CID 82449013) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
PubChem CID82449013
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC NameN-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C)nc2c(Br)cccc12
InChIInChI=1S/C15H19BrN2/c1-4-10(2)17-9-12-8-11(3)18-15-13(12)6-5-7-14(15)16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyMJIZSVGKBOEPBN-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-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449656
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
N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449064
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-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine
CID 82448987
N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine
CID 82448033
N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
N-[(2,8-dimethylquinolin-4-yl)methyl]ethanamine
CID 82447822
1-(8-ethyl-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82447933

Frequently Asked Questions

What is the IUPAC name of N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine?
The IUPAC name of N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine (CID 82449013) is N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine is CCC(C)NCc1cc(C)nc2c(Br)cccc12.
What is the InChIKey of N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine?
The InChIKey is MJIZSVGKBOEPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-4-10(2)17-9-12-8-11(3)18-15-13(12)6-5-7-14(15)16/h5-8,10,17H,4,9H2,1-3H3.
What are the key properties of N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine?
N-[(8-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-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 82449013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).