6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C16H14BrClFN — CID 63626922

IUPAC6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFc1ccc(NC2CCc3cc(Br)ccc3C2)c(Cl)c1
InChIInChI=1S/C16H14BrClFN/c17-12-3-1-11-8-14(5-2-10(11)7-12)20-16-6-4-13(19)9-15(16)18/h1,3-4,6-7,9,14,20H,2,5,8H2
InChIKeyUICNZMIWCAHTHW-UHFFFAOYSA-N
MW354.65 g/mol
LogP5.21
Rot. Bonds2

About 6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63626922) has the molecular formula C16H14BrClFN and a molecular weight of 354.65 g/mol. Its IUPAC name is 6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63626922
Molecular FormulaC16H14BrClFN
Molecular Weight354.65 g/mol
Exact Mass353.00
IUPAC Name6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFc1ccc(NC2CCc3cc(Br)ccc3C2)c(Cl)c1
InChIInChI=1S/C16H14BrClFN/c17-12-3-1-11-8-14(5-2-10(11)7-12)20-16-6-4-13(19)9-15(16)18/h1,3-4,6-7,9,14,20H,2,5,8H2
InChIKeyUICNZMIWCAHTHW-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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-(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
6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625335
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
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
CID 171358732
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol
CID 63625345
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-6-fluorobenzonitrile
CID 63625689
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43764909
6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627297
6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82799779

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63626922) is 6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Fc1ccc(NC2CCc3cc(Br)ccc3C2)c(Cl)c1.
What is the InChIKey of 6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UICNZMIWCAHTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFN/c17-12-3-1-11-8-14(5-2-10(11)7-12)20-16-6-4-13(19)9-15(16)18/h1,3-4,6-7,9,14,20H,2,5,8H2.
What are the key properties of 6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 354.65 g/mol, XLogP of 5.21, 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-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63626922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).