N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C17H17Br2NO — CID 107597292

IUPACN-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(Nc1c(Br)cccc1Br)CC2
InChIInChI=1S/C17H17Br2NO/c1-21-14-8-6-11-5-7-13(9-12(11)10-14)20-17-15(18)3-2-4-16(17)19/h2-4,6,8,10,13,20H,5,7,9H2,1H3
InChIKeyUPHNUCONDIBZDW-UHFFFAOYSA-N
MW411.14 g/mol
LogP5.19
Rot. Bonds3

About N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 107597292) has the molecular formula C17H17Br2NO and a molecular weight of 411.14 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID107597292
Molecular FormulaC17H17Br2NO
Molecular Weight411.14 g/mol
Exact Mass408.97
IUPAC NameN-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(Nc1c(Br)cccc1Br)CC2
InChIInChI=1S/C17H17Br2NO/c1-21-14-8-6-11-5-7-13(9-12(11)10-14)20-17-15(18)3-2-4-16(17)19/h2-4,6,8,10,13,20H,5,7,9H2,1H3
InChIKeyUPHNUCONDIBZDW-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.14
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dibromophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597579
N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107633014
7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510225
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
7-methoxy-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510335
2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 146097580
N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510619
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 2846354
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
N-(4-chloro-3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510381

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 107597292) is N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(Nc1c(Br)cccc1Br)CC2.
What is the InChIKey of N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UPHNUCONDIBZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO/c1-21-14-8-6-11-5-7-13(9-12(11)10-14)20-17-15(18)3-2-4-16(17)19/h2-4,6,8,10,13,20H,5,7,9H2,1H3.
What are the key properties of N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 411.14 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 107597292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).