3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide

C14H21BrN2O2 — CID 103824276

IUPAC3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1ccc(OC)c(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-14(2,13(18)16-3)9-17-8-10-5-6-12(19-4)11(15)7-10/h5-7,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyPOTZTBLONUNRHH-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.32
Rot. Bonds6

About 3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide

3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide (PubChem CID 103824276) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
PubChem CID103824276
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1ccc(OC)c(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-14(2,13(18)16-3)9-17-8-10-5-6-12(19-4)11(15)7-10/h5-7,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyPOTZTBLONUNRHH-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide 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

3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 103917273
3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824416
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861
1-[(3-bromo-4-methoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119209
3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824288
2-[(3-bromo-4-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 112684699
N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylprop-2-en-1-amine
CID 114615657
3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide
CID 106275482
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657
2-[(3-bromo-4-methoxyphenyl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788704
4-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]aniline
CID 115212471
N-[(3-bromo-4-methoxyphenyl)methyl]-2-chloroethanamine
CID 65026221

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide (CID 103824276) is 3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCc1ccc(OC)c(Br)c1.
What is the InChIKey of 3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide?
The InChIKey is POTZTBLONUNRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-14(2,13(18)16-3)9-17-8-10-5-6-12(19-4)11(15)7-10/h5-7,17H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide?
3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide has a molecular weight of 329.24 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103824276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).