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

C17H25BrN2O — CID 63626218

IUPAC6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(CN1CCOCC1)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H25BrN2O/c1-13(12-20-6-8-21-9-7-20)19-17-5-3-14-10-16(18)4-2-15(14)11-17/h2,4,10,13,17,19H,3,5-9,11-12H2,1H3
InChIKeyUMCZUWBXGVLKNX-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.62
Rot. Bonds4

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

6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63626218) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63626218
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(CN1CCOCC1)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H25BrN2O/c1-13(12-20-6-8-21-9-7-20)19-17-5-3-14-10-16(18)4-2-15(14)11-17/h2,4,10,13,17,19H,3,5-9,11-12H2,1H3
InChIKeyUMCZUWBXGVLKNX-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63626218) is 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is CC(CN1CCOCC1)NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UMCZUWBXGVLKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-13(12-20-6-8-21-9-7-20)19-17-5-3-14-10-16(18)4-2-15(14)11-17/h2,4,10,13,17,19H,3,5-9,11-12H2,1H3.
What are the key properties of 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 353.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63626218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).