(2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride

C12H18BrClN2O3 — CID 119312695

IUPAC(2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1cc(CNC(=O)[C@@H](C)N)cc(Br)c1OC.Cl
InChIInChI=1S/C12H17BrN2O3.ClH/c1-7(14)12(16)15-6-8-4-9(13)11(18-3)10(5-8)17-2;/h4-5,7H,6,14H2,1-3H3,(H,15,16);1H/t7-;/m1./s1
InChIKeyIZAZXMASYFNLKR-OGFXRTJISA-N
MW353.64 g/mol
LogP1.85
Rot. Bonds5

About (2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride

(2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride (PubChem CID 119312695) has the molecular formula C12H18BrClN2O3 and a molecular weight of 353.64 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
PubChem CID119312695
Molecular FormulaC12H18BrClN2O3
Molecular Weight353.64 g/mol
Exact Mass352.02
IUPAC Name(2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1cc(CNC(=O)[C@@H](C)N)cc(Br)c1OC.Cl
InChIInChI=1S/C12H17BrN2O3.ClH/c1-7(14)12(16)15-6-8-4-9(13)11(18-3)10(5-8)17-2;/h4-5,7H,6,14H2,1-3H3,(H,15,16);1H/t7-;/m1./s1
InChIKeyIZAZXMASYFNLKR-OGFXRTJISA-N
XLogP1.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
3-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-methylbutanamide
CID 120500013
2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120988226
(2R)-2-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride
CID 119311821
2-amino-2-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119272323
7-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]heptanamide
CID 119764855
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43622919
(2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272311
(2S)-2-amino-4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119272313
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589
(2S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 40726497

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride (CID 119312695) is (2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride is COc1cc(CNC(=O)[C@@H](C)N)cc(Br)c1OC.Cl.
What is the InChIKey of (2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride?
The InChIKey is IZAZXMASYFNLKR-OGFXRTJISA-N. The full InChI is InChI=1S/C12H17BrN2O3.ClH/c1-7(14)12(16)15-6-8-4-9(13)11(18-3)10(5-8)17-2;/h4-5,7H,6,14H2,1-3H3,(H,15,16);1H/t7-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride has a molecular weight of 353.64 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119312695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).