2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide

C13H19BrN2O — CID 103107208

IUPAC2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-4-16(3)13(17)10(2)15-9-11-5-7-12(14)8-6-11/h5-8,10,15H,4,9H2,1-3H3
InChIKeyQHOMSBCCWUHMSW-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.41
Rot. Bonds5

About 2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide

2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103107208) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
PubChem CID103107208
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-4-16(3)13(17)10(2)15-9-11-5-7-12(14)8-6-11/h5-8,10,15H,4,9H2,1-3H3
InChIKeyQHOMSBCCWUHMSW-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
CID 103108687
2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108096
2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
N-ethyl-2-[(4-methoxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103107281
2-[(5-bromo-2-nitrophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107680
N,N-diethyl-2-[(4-ethylphenyl)methylamino]propanamide
CID 43739384
2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107113
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107910
2-[(3-bromo-2,6-difluorophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 106263803
N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide
CID 107731050
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108505
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide (CID 103107208) is 2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is QHOMSBCCWUHMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-16(3)13(17)10(2)15-9-11-5-7-12(14)8-6-11/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide?
2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 299.21 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103107208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).