2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide

C14H21BrN2O — CID 60694428

IUPAC2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-4-17(5-2)14(18)11-16(3)10-12-7-6-8-13(15)9-12/h6-9H,4-5,10-11H2,1-3H3
InChIKeyIQVFEWZNRZWMFJ-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.75
Rot. Bonds6

About 2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide

2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide (PubChem CID 60694428) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
PubChem CID60694428
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-4-17(5-2)14(18)11-16(3)10-12-7-6-8-13(15)9-12/h6-9H,4-5,10-11H2,1-3H3
InChIKeyIQVFEWZNRZWMFJ-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide 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-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63567910
2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174
2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60694299
3-[[(3-bromophenyl)methyl-methylcarbamoyl]-ethylamino]propanoic acid
CID 61416607
N,N-diethyl-2-[(4-hydroxyphenyl)methyl-methylamino]acetamide
CID 82973362
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559
3-amino-N-[(3-bromophenyl)methyl]-N-ethylbutanamide
CID 119722122
ethyl (E)-4-[(3-bromophenyl)methyl-methylamino]but-2-enoate
CID 80549788
N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 91416066
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide (CID 60694428) is 2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide?
The InChIKey is IQVFEWZNRZWMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-17(5-2)14(18)11-16(3)10-12-7-6-8-13(15)9-12/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide?
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide has a molecular weight of 313.24 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 60694428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).