3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide

C13H19BrN2O — CID 81079486

IUPAC3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-3-10(8-15)6-13(17)16-11-5-4-9(2)12(14)7-11/h4-5,7,10H,3,6,8,15H2,1-2H3,(H,16,17)
InChIKeyCXPQGRLUHXGTTD-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.07
Rot. Bonds5

About 3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide

3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide (PubChem CID 81079486) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
PubChem CID81079486
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-3-10(8-15)6-13(17)16-11-5-4-9(2)12(14)7-11/h4-5,7,10H,3,6,8,15H2,1-2H3,(H,16,17)
InChIKeyCXPQGRLUHXGTTD-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
CID 81260017
3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide
CID 81071699
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588
5-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide
CID 82688133
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
CID 81070870
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-(4-acetylphenyl)-3-(aminomethyl)pentanamide
CID 81086671
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
CID 63334451

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide (CID 81079486) is 3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide is CCC(CN)CC(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide?
The InChIKey is CXPQGRLUHXGTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-10(8-15)6-13(17)16-11-5-4-9(2)12(14)7-11/h4-5,7,10H,3,6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide?
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide has a molecular weight of 299.21 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide is sourced from PubChem (CID 81079486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).