(5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium

C20H26BrN2O3+ — CID 8810489

IUPAC(5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium
SMILESCOc1ccc(CNC(=O)[C@@H](C)[NH+](C)Cc2cc(Br)ccc2OC)cc1
InChIInChI=1S/C20H25BrN2O3/c1-14(20(24)22-12-15-5-8-18(25-3)9-6-15)23(2)13-16-11-17(21)7-10-19(16)26-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)/p+1/t14-/m1/s1
InChIKeyOPHSASOFEXNWFV-CQSZACIVSA-O
MW422.34 g/mol
LogP2.19
Rot. Bonds8

About (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium

(5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium (PubChem CID 8810489) has the molecular formula C20H26BrN2O3+ and a molecular weight of 422.34 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium
PubChem CID8810489
Molecular FormulaC20H26BrN2O3+
Molecular Weight422.34 g/mol
Exact Mass421.11
IUPAC Name(5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium
SMILESCOc1ccc(CNC(=O)[C@@H](C)[NH+](C)Cc2cc(Br)ccc2OC)cc1
InChIInChI=1S/C20H25BrN2O3/c1-14(20(24)22-12-15-5-8-18(25-3)9-6-15)23(2)13-16-11-17(21)7-10-19(16)26-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)/p+1/t14-/m1/s1
InChIKeyOPHSASOFEXNWFV-CQSZACIVSA-O
XLogP2.19
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8594713
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595557
(5-bromo-2-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 2438618
2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-methylazanium
CID 9461404
2-[(4-bromophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 4885088
(2R)-2-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119244111
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
(2S)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9001411
5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230348
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
methyl 2-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]acetate
CID 55400234

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium (CID 8810489) is (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium is COc1ccc(CNC(=O)[C@@H](C)[NH+](C)Cc2cc(Br)ccc2OC)cc1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium?
The InChIKey is OPHSASOFEXNWFV-CQSZACIVSA-O. The full InChI is InChI=1S/C20H25BrN2O3/c1-14(20(24)22-12-15-5-8-18(25-3)9-6-15)23(2)13-16-11-17(21)7-10-19(16)26-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)/p+1/t14-/m1/s1.
What are the key properties of (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium?
(5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium has a molecular weight of 422.34 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 8810489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).