2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide

C13H19BrN2O — CID 81360039

IUPAC2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-4-16(3)13(17)9-15-10(2)11-5-7-12(14)8-6-11/h5-8,10,15H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyFVOAMHSWUXMQPX-JTQLQIEISA-N
MW299.21 g/mol
LogP2.58
Rot. Bonds5

About 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide

2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide (PubChem CID 81360039) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
PubChem CID81360039
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-4-16(3)13(17)9-15-10(2)11-5-7-12(14)8-6-11/h5-8,10,15H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyFVOAMHSWUXMQPX-JTQLQIEISA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 60759691
2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide
CID 113350546
2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide
CID 107094033
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide
CID 107799705
2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
CID 60693866
N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
CID 103915670
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
N-ethyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 81399721
N,N-dimethyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide
CID 81355442
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81379327
N-[(4-bromophenyl)methyl]-2-(butan-2-ylamino)-N-methylacetamide
CID 60646795

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide (CID 81360039) is 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide?
The InChIKey is FVOAMHSWUXMQPX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-16(3)13(17)9-15-10(2)11-5-7-12(14)8-6-11/h5-8,10,15H,4,9H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide?
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide has a molecular weight of 299.21 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 81360039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).