(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride

C12H18BrClN2O2 — CID 119267692

IUPAC(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
SMILESCOc1ccc(Br)cc1CN(C)C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-8(14)12(16)15(2)7-9-6-10(13)4-5-11(9)17-3;/h4-6,8H,7,14H2,1-3H3;1H/t8-;/m1./s1
InChIKeyBKVGTRNQGAKVGM-DDWIOCJRSA-N
MW337.65 g/mol
LogP2.19
Rot. Bonds4

About (2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride

(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride (PubChem CID 119267692) has the molecular formula C12H18BrClN2O2 and a molecular weight of 337.65 g/mol. Its IUPAC name is (2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
PubChem CID119267692
Molecular FormulaC12H18BrClN2O2
Molecular Weight337.65 g/mol
Exact Mass336.02
IUPAC Name(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
SMILESCOc1ccc(Br)cc1CN(C)C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-8(14)12(16)15(2)7-9-6-10(13)4-5-11(9)17-3;/h4-6,8H,7,14H2,1-3H3;1H/t8-;/m1./s1
InChIKeyBKVGTRNQGAKVGM-DDWIOCJRSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.65
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024442
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894868
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180644
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide
CID 103830977
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119682810
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137594
N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 119583075

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride (CID 119267692) is (2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride is COc1ccc(Br)cc1CN(C)C(=O)[C@@H](C)N.Cl.
What is the InChIKey of (2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride?
The InChIKey is BKVGTRNQGAKVGM-DDWIOCJRSA-N. The full InChI is InChI=1S/C12H17BrN2O2.ClH/c1-8(14)12(16)15(2)7-9-6-10(13)4-5-11(9)17-3;/h4-6,8H,7,14H2,1-3H3;1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride?
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride has a molecular weight of 337.65 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119267692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).