N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine

C15H22BrN3O — CID 83014109

IUPACN-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine
SMILESNCC1(NN2CCOCC2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H22BrN3O/c16-14-2-1-13-10-15(11-17,4-3-12(13)9-14)18-19-5-7-20-8-6-19/h1-2,9,18H,3-8,10-11,17H2
InChIKeyVQLIOCAZMNHWSG-UHFFFAOYSA-N
MW340.27 g/mol
LogP1.47
Rot. Bonds3

About N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine

N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine (PubChem CID 83014109) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine
PubChem CID83014109
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC NameN-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine
SMILESNCC1(NN2CCOCC2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H22BrN3O/c16-14-2-1-13-10-15(11-17,4-3-12(13)9-14)18-19-5-7-20-8-6-19/h1-2,9,18H,3-8,10-11,17H2
InChIKeyVQLIOCAZMNHWSG-UHFFFAOYSA-N
XLogP1.47
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine?
The IUPAC name of N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine (CID 83014109) is N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine?
The canonical SMILES for N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine is NCC1(NN2CCOCC2)CCc2cc(Br)ccc2C1.
What is the InChIKey of N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine?
The InChIKey is VQLIOCAZMNHWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c16-14-2-1-13-10-15(11-17,4-3-12(13)9-14)18-19-5-7-20-8-6-19/h1-2,9,18H,3-8,10-11,17H2.
What are the key properties of N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine?
N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine has a molecular weight of 340.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine is sourced from PubChem (CID 83014109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).