6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C13H19BrClNO2 — CID 18976424

IUPAC6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCNC1CCc2c(c(OC)cc(Br)c2OC)C1.Cl
InChIInChI=1S/C13H18BrNO2.ClH/c1-15-8-4-5-9-10(6-8)12(16-2)7-11(14)13(9)17-3;/h7-8,15H,4-6H2,1-3H3;1H
InChIKeyBJFHJWRQUZEHRE-UHFFFAOYSA-N
MW336.66 g/mol
LogP2.96
Rot. Bonds3

About 6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 18976424) has the molecular formula C13H19BrClNO2 and a molecular weight of 336.66 g/mol. Its IUPAC name is 6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID18976424
Molecular FormulaC13H19BrClNO2
Molecular Weight336.66 g/mol
Exact Mass335.03
IUPAC Name6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCNC1CCc2c(c(OC)cc(Br)c2OC)C1.Cl
InChIInChI=1S/C13H18BrNO2.ClH/c1-15-8-4-5-9-10(6-8)12(16-2)7-11(14)13(9)17-3;/h7-8,15H,4-6H2,1-3H3;1H
InChIKeyBJFHJWRQUZEHRE-UHFFFAOYSA-N
XLogP2.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 15354623
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22082782
7-bromo-1-chloro-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 105057519
(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 105057486
(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 105057504
N-ethyl-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924823
N-(6-bromo-5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoroacetamide
CID 22082988
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine
CID 84639757
5,8-dimethoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 14023938
6-bromo-3-ethyl-5,8-dimethoxy-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356652
6-bromo-5,8-dimethoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356817

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of 6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 18976424) is 6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for 6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CNC1CCc2c(c(OC)cc(Br)c2OC)C1.Cl.
What is the InChIKey of 6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is BJFHJWRQUZEHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2.ClH/c1-15-8-4-5-9-10(6-8)12(16-2)7-11(14)13(9)17-3;/h7-8,15H,4-6H2,1-3H3;1H.
What are the key properties of 6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 336.66 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 18976424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).