3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol

C18H20BrNO — CID 63625345

IUPAC3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol
SMILESCc1ccc(NC2CCc3cc(Br)ccc3C2)c(C)c1O
InChIInChI=1S/C18H20BrNO/c1-11-3-8-17(12(2)18(11)21)20-16-7-5-13-9-15(19)6-4-14(13)10-16/h3-4,6,8-9,16,20-21H,5,7,10H2,1-2H3
InChIKeyMLZLYZAGAMGYQO-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.74
Rot. Bonds2

About 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol

3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol (PubChem CID 63625345) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol
PubChem CID63625345
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol
SMILESCc1ccc(NC2CCc3cc(Br)ccc3C2)c(C)c1O
InChIInChI=1S/C18H20BrNO/c1-11-3-8-17(12(2)18(11)21)20-16-7-5-13-9-15(19)6-4-14(13)10-16/h3-4,6,8-9,16,20-21H,5,7,10H2,1-2H3
InChIKeyMLZLYZAGAMGYQO-UHFFFAOYSA-N
XLogP4.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627795
6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627297
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine
CID 63626601
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82799779
3-(cyclopropylamino)-2,6-dimethylphenol
CID 103439123
6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626750
6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627434
6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626922
6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626584
6-bromo-N-(2,5-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626729
6-bromo-N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 65469337

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol?
The IUPAC name of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol (CID 63625345) is 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol?
The canonical SMILES for 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol is Cc1ccc(NC2CCc3cc(Br)ccc3C2)c(C)c1O.
What is the InChIKey of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol?
The InChIKey is MLZLYZAGAMGYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-11-3-8-17(12(2)18(11)21)20-16-7-5-13-9-15(19)6-4-14(13)10-16/h3-4,6,8-9,16,20-21H,5,7,10H2,1-2H3.
What are the key properties of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol?
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol has a molecular weight of 346.27 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol is sourced from PubChem (CID 63625345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).