2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide

C14H21BrN2O3 — CID 43622919

IUPAC2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1cc(CNC(C)C(=O)N(C)C)cc(Br)c1OC
InChIInChI=1S/C14H21BrN2O3/c1-9(14(18)17(2)3)16-8-10-6-11(15)13(20-5)12(7-10)19-4/h6-7,9,16H,8H2,1-5H3
InChIKeyNMTYXYOYWKQYRC-UHFFFAOYSA-N
MW345.24 g/mol
LogP2.03
Rot. Bonds6

About 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide

2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 43622919) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide
PubChem CID43622919
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1cc(CNC(C)C(=O)N(C)C)cc(Br)c1OC
InChIInChI=1S/C14H21BrN2O3/c1-9(14(18)17(2)3)16-8-10-6-11(15)13(20-5)12(7-10)19-4/h6-7,9,16H,8H2,1-5H3
InChIKeyNMTYXYOYWKQYRC-UHFFFAOYSA-N
XLogP2.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide 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

2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107910
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide
CID 43622338
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43573898
(2S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 40726497
methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 60780797
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463534
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
(2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119312695
(2S)-2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol
CID 40726282
3-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-methylbutanamide
CID 120500013
2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide
CID 54983664
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271022

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide (CID 43622919) is 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide is COc1cc(CNC(C)C(=O)N(C)C)cc(Br)c1OC.
What is the InChIKey of 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is NMTYXYOYWKQYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-9(14(18)17(2)3)16-8-10-6-11(15)13(20-5)12(7-10)19-4/h6-7,9,16H,8H2,1-5H3.
What are the key properties of 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide?
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 345.24 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 43622919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).