[(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine

C17H20BrN3 — CID 107986108

IUPAC[(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
SMILESCc1cccc(C(NN)C2CCCc3cccnc32)c1Br
InChIInChI=1S/C17H20BrN3/c1-11-5-2-8-13(15(11)18)17(21-19)14-9-3-6-12-7-4-10-20-16(12)14/h2,4-5,7-8,10,14,17,21H,3,6,9,19H2,1H3
InChIKeyBPISFGZMCWUEFM-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.78
Rot. Bonds3

About [(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine

[(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine (PubChem CID 107986108) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is [(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
PubChem CID107986108
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name[(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
SMILESCc1cccc(C(NN)C2CCCc3cccnc32)c1Br
InChIInChI=1S/C17H20BrN3/c1-11-5-2-8-13(15(11)18)17(21-19)14-9-3-6-12-7-4-10-20-16(12)14/h2,4-5,7-8,10,14,17,21H,3,6,9,19H2,1H3
InChIKeyBPISFGZMCWUEFM-UHFFFAOYSA-N
XLogP3.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(2-methyl-3-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164680
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105322018
[(2-chloro-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
CID 105215470
(2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007461
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methylfuran-3-yl)methyl]hydrazine
CID 105269106
[2,2-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propyl]hydrazine
CID 105203138
1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007411
[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-5-yl)methyl]hydrazine
CID 105320898
[(5-chloro-2-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
CID 105251573
[cyclobutyl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
CID 105224521
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
[(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105222545

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine (CID 107986108) is [(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine is Cc1cccc(C(NN)C2CCCc3cccnc32)c1Br.
What is the InChIKey of [(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine?
The InChIKey is BPISFGZMCWUEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-11-5-2-8-13(15(11)18)17(21-19)14-9-3-6-12-7-4-10-20-16(12)14/h2,4-5,7-8,10,14,17,21H,3,6,9,19H2,1H3.
What are the key properties of [(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine?
[(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine has a molecular weight of 346.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-3-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine is sourced from PubChem (CID 107986108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).