[6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine

C17H25BrN2O — CID 63630602

IUPAC[6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCC1CN(C2(CN)CCc3cc(Br)ccc3C2)CC(C)O1
InChIInChI=1S/C17H25BrN2O/c1-12-9-20(10-13(2)21-12)17(11-19)6-5-14-7-16(18)4-3-15(14)8-17/h3-4,7,12-13H,5-6,8-11,19H2,1-2H3
InChIKeyHGSLGOWBIRZCFO-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.74
Rot. Bonds2

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

[6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (PubChem CID 63630602) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is [6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
PubChem CID63630602
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name[6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCC1CN(C2(CN)CCc3cc(Br)ccc3C2)CC(C)O1
InChIInChI=1S/C17H25BrN2O/c1-12-9-20(10-13(2)21-12)17(11-19)6-5-14-7-16(18)4-3-15(14)8-17/h3-4,7,12-13H,5-6,8-11,19H2,1-2H3
InChIKeyHGSLGOWBIRZCFO-UHFFFAOYSA-N
XLogP2.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The IUPAC name of [6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (CID 63630602) is [6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.
What is the SMILES notation for [6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The canonical SMILES for [6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is CC1CN(C2(CN)CCc3cc(Br)ccc3C2)CC(C)O1.
What is the InChIKey of [6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The InChIKey is HGSLGOWBIRZCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-12-9-20(10-13(2)21-12)17(11-19)6-5-14-7-16(18)4-3-15(14)8-17/h3-4,7,12-13H,5-6,8-11,19H2,1-2H3.
What are the key properties of [6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
[6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine has a molecular weight of 353.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is sourced from PubChem (CID 63630602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).