5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H17BrN2O — CID 104796375

IUPAC5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OCc3ccc(Br)cn3)cccc21
InChIInChI=1S/C16H17BrN2O/c17-11-7-8-12(19-9-11)10-20-16-6-2-3-13-14(16)4-1-5-15(13)18/h2-3,6-9,15H,1,4-5,10,18H2
InChIKeyNEEXBRJTBLEPSG-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.76
Rot. Bonds3

About 5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 104796375) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID104796375
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OCc3ccc(Br)cn3)cccc21
InChIInChI=1S/C16H17BrN2O/c17-11-7-8-12(19-9-11)10-20-16-6-2-3-13-14(16)4-1-5-15(13)18/h2-3,6-9,15H,1,4-5,10,18H2
InChIKeyNEEXBRJTBLEPSG-UHFFFAOYSA-N
XLogP3.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 104796375) is 5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is NC1CCCc2c(OCc3ccc(Br)cn3)cccc21.
What is the InChIKey of 5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NEEXBRJTBLEPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c17-11-7-8-12(19-9-11)10-20-16-6-2-3-13-14(16)4-1-5-15(13)18/h2-3,6-9,15H,1,4-5,10,18H2.
What are the key properties of 5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 333.23 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 104796375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).