2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide

C15H23BrN2O2 — CID 103827953

IUPAC2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1cc(OC)ccc1Br
InChIInChI=1S/C15H23BrN2O2/c1-10(2)7-14(15(19)17-3)18-9-11-8-12(20-4)5-6-13(11)16/h5-6,8,10,14,18H,7,9H2,1-4H3,(H,17,19)
InChIKeyXZDVKRYGDJOKLA-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.71
Rot. Bonds7

About 2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide

2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide (PubChem CID 103827953) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide
PubChem CID103827953
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1cc(OC)ccc1Br
InChIInChI=1S/C15H23BrN2O2/c1-10(2)7-14(15(19)17-3)18-9-11-8-12(20-4)5-6-13(11)16/h5-6,8,10,14,18H,7,9H2,1-4H3,(H,17,19)
InChIKeyXZDVKRYGDJOKLA-UHFFFAOYSA-N
XLogP2.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide
CID 43750741
methyl 2-[(2-bromo-5-methoxyphenyl)methylamino]propanoate
CID 65323693
2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 102563008
6-[(2-bromo-5-methoxyphenyl)methylamino]-2-methylheptanoic acid
CID 65322752
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
3-[(2-bromo-5-methoxyphenyl)methylamino]-N-methylpropanamide
CID 65323934
2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide
CID 115762137
N,4-dimethyl-2-(naphthalen-1-ylmethylamino)pentanamide
CID 43750519
N-[(2-bromo-5-methoxyphenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271187
N-[(2-bromo-5-methoxyphenyl)methyl]-4-chlorobutan-2-amine
CID 83186503
N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 65323834
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide (CID 103827953) is 2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NCc1cc(OC)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide?
The InChIKey is XZDVKRYGDJOKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10(2)7-14(15(19)17-3)18-9-11-8-12(20-4)5-6-13(11)16/h5-6,8,10,14,18H,7,9H2,1-4H3,(H,17,19).
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide?
2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide has a molecular weight of 343.27 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 103827953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).