6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C17H16BrF2N — CID 82799779

IUPAC6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(F)c(NC2CCc3cc(Br)ccc3C2)c1F
InChIInChI=1S/C17H16BrF2N/c1-10-2-7-15(19)17(16(10)20)21-14-6-4-11-8-13(18)5-3-12(11)9-14/h2-3,5,7-8,14,21H,4,6,9H2,1H3
InChIKeyYVKAJCZXNGHXGV-UHFFFAOYSA-N
MW352.22 g/mol
LogP5.01
Rot. Bonds2

About 6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 82799779) has the molecular formula C17H16BrF2N and a molecular weight of 352.22 g/mol. Its IUPAC name is 6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID82799779
Molecular FormulaC17H16BrF2N
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(F)c(NC2CCc3cc(Br)ccc3C2)c1F
InChIInChI=1S/C17H16BrF2N/c1-10-2-7-15(19)17(16(10)20)21-14-6-4-11-8-13(18)5-3-12(11)9-14/h2-3,5,7-8,14,21H,4,6,9H2,1H3
InChIKeyYVKAJCZXNGHXGV-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.22
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82816513
6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627795
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625335
6-bromo-N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 65469337
6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626584
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol
CID 63625345
6-bromo-N-(2,5-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626729
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine
CID 63626601
6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626750
6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627297
6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626922

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 82799779) is 6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1ccc(F)c(NC2CCc3cc(Br)ccc3C2)c1F.
What is the InChIKey of 6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is YVKAJCZXNGHXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2N/c1-10-2-7-15(19)17(16(10)20)21-14-6-4-11-8-13(18)5-3-12(11)9-14/h2-3,5,7-8,14,21H,4,6,9H2,1H3.
What are the key properties of 6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 352.22 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 82799779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).