6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride

C19H21BrClN3 — CID 44532068

IUPAC6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride
SMILESCc1cc(N)nc2ccc(CNCCc3ccccc3Br)cc12.Cl
InChIInChI=1S/C19H20BrN3.ClH/c1-13-10-19(21)23-18-7-6-14(11-16(13)18)12-22-9-8-15-4-2-3-5-17(15)20;/h2-7,10-11,22H,8-9,12H2,1H3,(H2,21,23);1H
InChIKeyUKUQZYSYPORBEI-UHFFFAOYSA-N
MW406.76 g/mol
LogP4.64
Rot. Bonds5

About 6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride

6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride (PubChem CID 44532068) has the molecular formula C19H21BrClN3 and a molecular weight of 406.76 g/mol. Its IUPAC name is 6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride
PubChem CID44532068
Molecular FormulaC19H21BrClN3
Molecular Weight406.76 g/mol
Exact Mass405.06
IUPAC Name6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride
SMILESCc1cc(N)nc2ccc(CNCCc3ccccc3Br)cc12.Cl
InChIInChI=1S/C19H20BrN3.ClH/c1-13-10-19(21)23-18-7-6-14(11-16(13)18)12-22-9-8-15-4-2-3-5-17(15)20;/h2-7,10-11,22H,8-9,12H2,1H3,(H2,21,23);1H
InChIKeyUKUQZYSYPORBEI-UHFFFAOYSA-N
XLogP4.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.76
LogP ≤ 54.64
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

7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine
CID 44532072
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
N-[(2-bromophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 55062660
4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine
CID 138645350
2-bromo-6-ethyl-4-methylquinoline
CID 82580979
N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206611
2-(2-bromophenyl)-N-(chloromethyl)ethanamine
CID 115263436
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenyl)ethanamine
CID 112722432

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride?
The IUPAC name of 6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride (CID 44532068) is 6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride.
What is the SMILES notation for 6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride?
The canonical SMILES for 6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride is Cc1cc(N)nc2ccc(CNCCc3ccccc3Br)cc12.Cl.
What is the InChIKey of 6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride?
The InChIKey is UKUQZYSYPORBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3.ClH/c1-13-10-19(21)23-18-7-6-14(11-16(13)18)12-22-9-8-15-4-2-3-5-17(15)20;/h2-7,10-11,22H,8-9,12H2,1H3,(H2,21,23);1H.
What are the key properties of 6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride?
6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride has a molecular weight of 406.76 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride is sourced from PubChem (CID 44532068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).