7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine

C19H20BrN3 — CID 44532072

IUPAC7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccc(CNCCc3ccccc3Br)cc2nc1N
InChIInChI=1S/C19H20BrN3/c1-13-10-16-7-6-14(11-18(16)23-19(13)21)12-22-9-8-15-4-2-3-5-17(15)20/h2-7,10-11,22H,8-9,12H2,1H3,(H2,21,23)
InChIKeyNXPQONOEQSYKHL-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.22
Rot. Bonds5

About 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine

7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine (PubChem CID 44532072) has the molecular formula C19H20BrN3 and a molecular weight of 370.29 g/mol. Its IUPAC name is 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine.

Molecular Properties

Compound Name7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine
PubChem CID44532072
Molecular FormulaC19H20BrN3
Molecular Weight370.29 g/mol
Exact Mass369.08
IUPAC Name7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccc(CNCCc3ccccc3Br)cc2nc1N
InChIInChI=1S/C19H20BrN3/c1-13-10-16-7-6-14(11-18(16)23-19(13)21)12-22-9-8-15-4-2-3-5-17(15)20/h2-7,10-11,22H,8-9,12H2,1H3,(H2,21,23)
InChIKeyNXPQONOEQSYKHL-UHFFFAOYSA-N
XLogP4.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride
CID 44532068
7-bromo-3-methylquinolin-2-amine
CID 17039635
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 60701425
N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 106816930
N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
CID 115227263
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
N-[(2-bromophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 55062660
7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine
CID 72771077
N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
CID 115212839
N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206611
2-(2-bromophenyl)-N-(chloromethyl)ethanamine
CID 115263436

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine?
The IUPAC name of 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine (CID 44532072) is 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine.
What is the SMILES notation for 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine?
The canonical SMILES for 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine is Cc1cc2ccc(CNCCc3ccccc3Br)cc2nc1N.
What is the InChIKey of 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine?
The InChIKey is NXPQONOEQSYKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3/c1-13-10-16-7-6-14(11-18(16)23-19(13)21)12-22-9-8-15-4-2-3-5-17(15)20/h2-7,10-11,22H,8-9,12H2,1H3,(H2,21,23).
What are the key properties of 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine?
7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine has a molecular weight of 370.29 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine is sourced from PubChem (CID 44532072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).