8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine

C17H21BrN2 — CID 137442686

IUPAC8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine
SMILESCc1cc(NCC2CCCCC2)c2cccc(Br)c2n1
InChIInChI=1S/C17H21BrN2/c1-12-10-16(19-11-13-6-3-2-4-7-13)14-8-5-9-15(18)17(14)20-12/h5,8-10,13H,2-4,6-7,11H2,1H3,(H,19,20)
InChIKeyNTSIYRCDWWUODN-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.30
Rot. Bonds3

About 8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine

8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine (PubChem CID 137442686) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine
PubChem CID137442686
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine
SMILESCc1cc(NCC2CCCCC2)c2cccc(Br)c2n1
InChIInChI=1S/C17H21BrN2/c1-12-10-16(19-11-13-6-3-2-4-7-13)14-8-5-9-15(18)17(14)20-12/h5,8-10,13H,2-4,6-7,11H2,1H3,(H,19,20)
InChIKeyNTSIYRCDWWUODN-UHFFFAOYSA-N
XLogP5.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine
CID 110432998
8-bromo-2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 155046229
4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol
CID 978277
4-N-[4-(cyclohexylmethoxy)phenyl]-2-methylquinoline-4,8-diamine;hydrate;hydrochloride
CID 67836104
2-bromo-N-(cyclobutylmethyl)aniline
CID 65457106
8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 155046233
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
CID 133369022
N-(cyclopentylmethyl)-5-methoxy-2-methylpyridin-4-amine
CID 106660273
N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine
CID 106127195
2-bromo-N-(cycloheptylmethyl)-4-iodoaniline
CID 114258973
8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine
CID 133368255

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine?
The IUPAC name of 8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine (CID 137442686) is 8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine.
What is the SMILES notation for 8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine?
The canonical SMILES for 8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine is Cc1cc(NCC2CCCCC2)c2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine?
The InChIKey is NTSIYRCDWWUODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-12-10-16(19-11-13-6-3-2-4-7-13)14-8-5-9-15(18)17(14)20-12/h5,8-10,13H,2-4,6-7,11H2,1H3,(H,19,20).
What are the key properties of 8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine?
8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine has a molecular weight of 333.27 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 137442686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).