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

C17H25BrN2O — CID 63625159

IUPAC6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NCCCN1CCOCC1)C2
InChIInChI=1S/C17H25BrN2O/c18-16-4-2-15-13-17(5-3-14(15)12-16)19-6-1-7-20-8-10-21-11-9-20/h2,4,12,17,19H,1,3,5-11,13H2
InChIKeySQYULUJMDFEHJJ-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.62
Rot. Bonds5

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

6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625159) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625159
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NCCCN1CCOCC1)C2
InChIInChI=1S/C17H25BrN2O/c18-16-4-2-15-13-17(5-3-14(15)12-16)19-6-1-7-20-8-10-21-11-9-20/h2,4,12,17,19H,1,3,5-11,13H2
InChIKeySQYULUJMDFEHJJ-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625159) is 6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Brc1ccc2c(c1)CCC(NCCCN1CCOCC1)C2.
What is the InChIKey of 6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is SQYULUJMDFEHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c18-16-4-2-15-13-17(5-3-14(15)12-16)19-6-1-7-20-8-10-21-11-9-20/h2,4,12,17,19H,1,3,5-11,13H2.
What are the key properties of 6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 353.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).