6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C17H17BrFN — CID 63627795

IUPAC6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(F)cc1NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H17BrFN/c1-11-2-6-15(19)10-17(11)20-16-7-4-12-8-14(18)5-3-13(12)9-16/h2-3,5-6,8,10,16,20H,4,7,9H2,1H3
InChIKeyZSZMPBBTKSAJRI-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.87
Rot. Bonds2

About 6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63627795) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63627795
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(F)cc1NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H17BrFN/c1-11-2-6-15(19)10-17(11)20-16-7-4-12-8-14(18)5-3-13(12)9-16/h2-3,5-6,8,10,16,20H,4,7,9H2,1H3
InChIKeyZSZMPBBTKSAJRI-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626922
6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82799779
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine
CID 63626601
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol
CID 63625345
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512844
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43764909
6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626750
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627297
6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627434
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
CID 171358732
6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627261

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63627795) is 6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1ccc(F)cc1NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ZSZMPBBTKSAJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c1-11-2-6-15(19)10-17(11)20-16-7-4-12-8-14(18)5-3-13(12)9-16/h2-3,5-6,8,10,16,20H,4,7,9H2,1H3.
What are the key properties of 6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 334.23 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63627795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).