2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide

C15H23BrN2O — CID 66473610

IUPAC2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc(Br)c(C)c1
InChIInChI=1S/C15H23BrN2O/c1-5-18(6-2)15(19)12(4)17-10-13-7-8-14(16)11(3)9-13/h7-9,12,17H,5-6,10H2,1-4H3
InChIKeyFFDCUWRYNUGPNR-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.10
Rot. Bonds6

About 2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide

2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide (PubChem CID 66473610) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide
PubChem CID66473610
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc(Br)c(C)c1
InChIInChI=1S/C15H23BrN2O/c1-5-18(6-2)15(19)12(4)17-10-13-7-8-14(16)11(3)9-13/h7-9,12,17H,5-6,10H2,1-4H3
InChIKeyFFDCUWRYNUGPNR-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide
CID 43789807
2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 43789766
2-[(4-bromo-3-methylphenyl)methylamino]propanamide
CID 66474598
N,N-diethyl-2-[(4-ethylphenyl)methylamino]propanamide
CID 43739384
2-[(4-bromo-3-methylphenyl)methylamino]-N-ethylpropanamide
CID 66471990
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 43424955
2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 66473597
(2R)-2-[(4-bromo-3-methylphenyl)methylamino]-3-methylbutanoic acid
CID 120511144
N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63051555
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine
CID 66472030

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide (CID 66473610) is 2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NCc1ccc(Br)c(C)c1.
What is the InChIKey of 2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide?
The InChIKey is FFDCUWRYNUGPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-5-18(6-2)15(19)12(4)17-10-13-7-8-14(16)11(3)9-13/h7-9,12,17H,5-6,10H2,1-4H3.
What are the key properties of 2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide?
2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide has a molecular weight of 327.27 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 66473610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).