2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide

C18H21BrN2O2 — CID 120586900

IUPAC2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C18H21BrN2O2/c1-18(20,14-7-5-4-6-8-14)17(22)21(2)12-13-11-15(19)9-10-16(13)23-3/h4-11H,12,20H2,1-3H3
InChIKeyRXLQEJDUOAKLKX-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.29
Rot. Bonds5

About 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide

2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide (PubChem CID 120586900) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide
PubChem CID120586900
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C18H21BrN2O2/c1-18(20,14-7-5-4-6-8-14)17(22)21(2)12-13-11-15(19)9-10-16(13)23-3/h4-11H,12,20H2,1-3H3
InChIKeyRXLQEJDUOAKLKX-UHFFFAOYSA-N
XLogP3.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide
CID 60936876
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
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62489282
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589610
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894868
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24544434
2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120590856
6-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60954211
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741521

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide (CID 120586900) is 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide is COc1ccc(Br)cc1CN(C)C(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide?
The InChIKey is RXLQEJDUOAKLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-18(20,14-7-5-4-6-8-14)17(22)21(2)12-13-11-15(19)9-10-16(13)23-3/h4-11H,12,20H2,1-3H3.
What are the key properties of 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide?
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide has a molecular weight of 377.28 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 120586900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).