6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C16H23BrN2O — CID 63625153

IUPAC6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NCCN1CCOCC1)C2
InChIInChI=1S/C16H23BrN2O/c17-15-3-1-14-12-16(4-2-13(14)11-15)18-5-6-19-7-9-20-10-8-19/h1,3,11,16,18H,2,4-10,12H2
InChIKeyUXXCCCPOPGZLGS-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.23
Rot. Bonds4

About 6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625153) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625153
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NCCN1CCOCC1)C2
InChIInChI=1S/C16H23BrN2O/c17-15-3-1-14-12-16(4-2-13(14)11-15)18-5-6-19-7-9-20-10-8-19/h1,3,11,16,18H,2,4-10,12H2
InChIKeyUXXCCCPOPGZLGS-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625153) is 6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Brc1ccc2c(c1)CCC(NCCN1CCOCC1)C2.
What is the InChIKey of 6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UXXCCCPOPGZLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c17-15-3-1-14-12-16(4-2-13(14)11-15)18-5-6-19-7-9-20-10-8-19/h1,3,11,16,18H,2,4-10,12H2.
What are the key properties of 6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 339.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).