2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide

C15H23BrN2O — CID 43426627

IUPAC2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-5-18(6-2)15(19)12(4)17-11(3)13-8-7-9-14(16)10-13/h7-12,17H,5-6H2,1-4H3
InChIKeyRCSMQKJUBKJPNP-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.36
Rot. Bonds6

About 2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide

2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide (PubChem CID 43426627) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide
PubChem CID43426627
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-5-18(6-2)15(19)12(4)17-11(3)13-8-7-9-14(16)10-13/h7-12,17H,5-6H2,1-4H3
InChIKeyRCSMQKJUBKJPNP-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
CID 81382107
2-[1-(3-bromophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 60744879
2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide
CID 43425684
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81382467
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 81382347
methyl 2-[1-(3-bromophenyl)ethylamino]butanoate
CID 113292365
tert-butyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoate
CID 81375746
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]pentanoic acid
CID 83041861
(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 96528244
N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide
CID 103106950
3-[1-(3-bromophenyl)ethylamino]-2-methylbutanoic acid
CID 79391958

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide (CID 43426627) is 2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NC(C)c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide?
The InChIKey is RCSMQKJUBKJPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-5-18(6-2)15(19)12(4)17-11(3)13-8-7-9-14(16)10-13/h7-12,17H,5-6H2,1-4H3.
What are the key properties of 2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide?
2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide has a molecular weight of 327.27 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 43426627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).