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

C16H14BrClFN — CID 63625335

IUPAC6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFc1ccc(NC2CCc3cc(Br)ccc3C2)cc1Cl
InChIInChI=1S/C16H14BrClFN/c17-12-3-1-11-8-13(4-2-10(11)7-12)20-14-5-6-16(19)15(18)9-14/h1,3,5-7,9,13,20H,2,4,8H2
InChIKeyHMPGLIFFKGUDEC-UHFFFAOYSA-N
MW354.65 g/mol
LogP5.21
Rot. Bonds2

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

6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625335) has the molecular formula C16H14BrClFN and a molecular weight of 354.65 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625335
Molecular FormulaC16H14BrClFN
Molecular Weight354.65 g/mol
Exact Mass353.00
IUPAC Name6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFc1ccc(NC2CCc3cc(Br)ccc3C2)cc1Cl
InChIInChI=1S/C16H14BrClFN/c17-12-3-1-11-8-13(4-2-10(11)7-12)20-14-5-6-16(19)15(18)9-14/h1,3,5-7,9,13,20H,2,4,8H2
InChIKeyHMPGLIFFKGUDEC-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625335) is 6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Fc1ccc(NC2CCc3cc(Br)ccc3C2)cc1Cl.
What is the InChIKey of 6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HMPGLIFFKGUDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFN/c17-12-3-1-11-8-13(4-2-10(11)7-12)20-14-5-6-16(19)15(18)9-14/h1,3,5-7,9,13,20H,2,4,8H2.
What are the key properties of 6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(3-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-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).