(6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine

C15H21BrN2O — CID 55249625

IUPAC(6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
SMILESNCC1(N2CCOCC2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H21BrN2O/c16-14-2-1-13-10-15(11-17,4-3-12(13)9-14)18-5-7-19-8-6-18/h1-2,9H,3-8,10-11,17H2
InChIKeyLKSLXIIGCFRKAF-UHFFFAOYSA-N
MW325.25 g/mol
LogP1.97
Rot. Bonds2

About (6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine

(6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine (PubChem CID 55249625) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is (6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
PubChem CID55249625
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name(6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
SMILESNCC1(N2CCOCC2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H21BrN2O/c16-14-2-1-13-10-15(11-17,4-3-12(13)9-14)18-5-7-19-8-6-18/h1-2,9H,3-8,10-11,17H2
InChIKeyLKSLXIIGCFRKAF-UHFFFAOYSA-N
XLogP1.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
The IUPAC name of (6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine (CID 55249625) is (6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine.
What is the SMILES notation for (6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
The canonical SMILES for (6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine is NCC1(N2CCOCC2)CCc2cc(Br)ccc2C1.
What is the InChIKey of (6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
The InChIKey is LKSLXIIGCFRKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-14-2-1-13-10-15(11-17,4-3-12(13)9-14)18-5-7-19-8-6-18/h1-2,9H,3-8,10-11,17H2.
What are the key properties of (6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
(6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine has a molecular weight of 325.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine is sourced from PubChem (CID 55249625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).