5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline

C16H15BrFNO — CID 66110972

IUPAC5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline
SMILESNc1cc(Br)c(F)cc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H15BrFNO/c17-13-8-15(19)16(9-14(13)18)20-12-6-5-10-3-1-2-4-11(10)7-12/h5-9H,1-4,19H2
InChIKeyBBICFWCXHUBIPA-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.84
Rot. Bonds2

About 5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline

5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline (PubChem CID 66110972) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline
PubChem CID66110972
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline
SMILESNc1cc(Br)c(F)cc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H15BrFNO/c17-13-8-15(19)16(9-14(13)18)20-12-6-5-10-3-1-2-4-11(10)7-12/h5-9H,1-4,19H2
InChIKeyBBICFWCXHUBIPA-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline?
The IUPAC name of 5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline (CID 66110972) is 5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline is Nc1cc(Br)c(F)cc1Oc1ccc2c(c1)CCCC2.
What is the InChIKey of 5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline?
The InChIKey is BBICFWCXHUBIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-13-8-15(19)16(9-14(13)18)20-12-6-5-10-3-1-2-4-11(10)7-12/h5-9H,1-4,19H2.
What are the key properties of 5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline?
5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline has a molecular weight of 336.20 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline is sourced from PubChem (CID 66110972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).