(5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium

C20H26BrN2O2+ — CID 8810519

IUPAC(5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
SMILESCOc1ccc(Br)cc1C[NH+](C)CC(=O)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C20H25BrN2O2/c1-15(16-8-6-5-7-9-16)23(3)20(24)14-22(2)13-17-12-18(21)10-11-19(17)25-4/h5-12,15H,13-14H2,1-4H3/p+1/t15-/m1/s1
InChIKeyWZFXOCDHIDOJTC-OAHLLOKOSA-O
MW406.34 g/mol
LogP2.69
Rot. Bonds7

About (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium

(5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium (PubChem CID 8810519) has the molecular formula C20H26BrN2O2+ and a molecular weight of 406.34 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
PubChem CID8810519
Molecular FormulaC20H26BrN2O2+
Molecular Weight406.34 g/mol
Exact Mass405.12
IUPAC Name(5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
SMILESCOc1ccc(Br)cc1C[NH+](C)CC(=O)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C20H25BrN2O2/c1-15(16-8-6-5-7-9-16)23(3)20(24)14-22(2)13-17-12-18(21)10-11-19(17)25-4/h5-12,15H,13-14H2,1-4H3/p+1/t15-/m1/s1
InChIKeyWZFXOCDHIDOJTC-OAHLLOKOSA-O
XLogP2.69
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

(5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(N-propan-2-ylanilino)ethyl]azanium
CID 8810459
2-[5-[(5-bromo-2-methoxyphenyl)methyl]tetrazol-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 102563822
(3S)-3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide
CID 26006172
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium
CID 8805322
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4883197
(5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium
CID 8810475
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 8910070
(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9103940
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 120586900
(5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9103818

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium (CID 8810519) is (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium is COc1ccc(Br)cc1C[NH+](C)CC(=O)N(C)[C@H](C)c1ccccc1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium?
The InChIKey is WZFXOCDHIDOJTC-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H25BrN2O2/c1-15(16-8-6-5-7-9-16)23(3)20(24)14-22(2)13-17-12-18(21)10-11-19(17)25-4/h5-12,15H,13-14H2,1-4H3/p+1/t15-/m1/s1.
What are the key properties of (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium?
(5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium has a molecular weight of 406.34 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8810519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).