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

C15H23BrN2O2 — CID 43789766

IUPAC2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc(OC)c(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-5-18(6-2)15(19)11(3)17-10-12-7-8-14(20-4)13(16)9-12/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeySZVHVSNQEXOTPY-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.80
Rot. Bonds7

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

2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide (PubChem CID 43789766) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide
PubChem CID43789766
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc(OC)c(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-5-18(6-2)15(19)11(3)17-10-12-7-8-14(20-4)13(16)9-12/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeySZVHVSNQEXOTPY-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide
CID 43789807
2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide
CID 66473610
methyl 2-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690959
N,N-diethyl-2-[(4-ethylphenyl)methylamino]propanamide
CID 43739384
N-ethyl-2-[(4-methoxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103107281
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 43221071
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107910
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
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-[(3-bromo-4-methoxyphenyl)methylamino]butanedioic acid
CID 115144374

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide (CID 43789766) is 2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NCc1ccc(OC)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide?
The InChIKey is SZVHVSNQEXOTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-5-18(6-2)15(19)11(3)17-10-12-7-8-14(20-4)13(16)9-12/h7-9,11,17H,5-6,10H2,1-4H3.
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide?
2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide has a molecular weight of 343.27 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 43789766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).