1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol

C16H24BrNO2 — CID 103784233

IUPAC1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H24BrNO2/c1-16(19,7-8-20-2)11-18-15-6-4-12-9-14(17)5-3-13(12)10-15/h3,5,9,15,18-19H,4,6-8,10-11H2,1-2H3
InChIKeyFRISVJLIVLPEPG-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.68
Rot. Bonds6

About 1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 103784233) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID103784233
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H24BrNO2/c1-16(19,7-8-20-2)11-18-15-6-4-12-9-14(17)5-3-13(12)10-15/h3,5,9,15,18-19H,4,6-8,10-11H2,1-2H3
InChIKeyFRISVJLIVLPEPG-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol (CID 103784233) is 1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is FRISVJLIVLPEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-16(19,7-8-20-2)11-18-15-6-4-12-9-14(17)5-3-13(12)10-15/h3,5,9,15,18-19H,4,6-8,10-11H2,1-2H3.
What are the key properties of 1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 342.28 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 103784233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).