3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide

C15H24BrN3O — CID 106914537

IUPAC3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide
SMILESCCC(N)C(c1ccccc1Br)N(C)CCC(=O)NC
InChIInChI=1S/C15H24BrN3O/c1-4-13(17)15(11-7-5-6-8-12(11)16)19(3)10-9-14(20)18-2/h5-8,13,15H,4,9-10,17H2,1-3H3,(H,18,20)
InChIKeyGGBUWOIORDNFKY-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.30
Rot. Bonds7

About 3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide

3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide (PubChem CID 106914537) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide
PubChem CID106914537
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide
SMILESCCC(N)C(c1ccccc1Br)N(C)CCC(=O)NC
InChIInChI=1S/C15H24BrN3O/c1-4-13(17)15(11-7-5-6-8-12(11)16)19(3)10-9-14(20)18-2/h5-8,13,15H,4,9-10,17H2,1-3H3,(H,18,20)
InChIKeyGGBUWOIORDNFKY-UHFFFAOYSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-1-N-methyl-1-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 112657300
3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide
CID 106914505
1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine
CID 63406143
2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide
CID 55022786
1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine
CID 55023020
1-(2-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)butane-1,2-diamine
CID 63406104
3-(2-bromophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82135174
1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine
CID 55018970
3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide
CID 60505858
1-(2-bromophenyl)-1-N-butan-2-yl-1-N-methylpropane-1,2-diamine
CID 55022779
1-(2-bromophenyl)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine
CID 63694266
1-(2-bromophenyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 62629071

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide (CID 106914537) is 3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide is CCC(N)C(c1ccccc1Br)N(C)CCC(=O)NC.
What is the InChIKey of 3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide?
The InChIKey is GGBUWOIORDNFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-4-13(17)15(11-7-5-6-8-12(11)16)19(3)10-9-14(20)18-2/h5-8,13,15H,4,9-10,17H2,1-3H3,(H,18,20).
What are the key properties of 3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide?
3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide has a molecular weight of 342.28 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).