3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide

C13H19BrN2O — CID 115154426

IUPAC3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)CCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10(15)8-13(17)16(2)7-6-11-4-3-5-12(14)9-11/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyXQNWBWZNSMCNAV-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.19
Rot. Bonds5

About 3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide

3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide (PubChem CID 115154426) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide
PubChem CID115154426
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)CCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10(15)8-13(17)16(2)7-6-11-4-3-5-12(14)9-11/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyXQNWBWZNSMCNAV-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide
CID 115153894
N-[2-(3-bromophenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168103
N-[2-(3-bromophenyl)ethyl]-2-cyano-N-methylacetamide
CID 82134700
4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide
CID 115157634
3-amino-N-[(3-bromophenyl)methyl]-N-ethylbutanamide
CID 119722122
3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115180860
5-[2-(3-bromophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 115163898
3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide
CID 115154399
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190038
3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide
CID 115154407
3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide
CID 119758698

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide (CID 115154426) is 3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide is CC(N)CC(=O)N(C)CCc1cccc(Br)c1.
What is the InChIKey of 3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide?
The InChIKey is XQNWBWZNSMCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10(15)8-13(17)16(2)7-6-11-4-3-5-12(14)9-11/h3-5,9-10H,6-8,15H2,1-2H3.
What are the key properties of 3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide?
3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide has a molecular weight of 299.21 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 115154426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).