2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide

C12H17BrN2O — CID 81382347

IUPAC2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
SMILESCCC(N[C@H](C)c1cccc(Br)c1)C(N)=O
InChIInChI=1S/C12H17BrN2O/c1-3-11(12(14)16)15-8(2)9-5-4-6-10(13)7-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/t8-,11?/m1/s1
InChIKeyLIEPTAIIHDREQJ-RZZZFEHKSA-N
MW285.19 g/mol
LogP2.36
Rot. Bonds5

About 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide

2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide (PubChem CID 81382347) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
PubChem CID81382347
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
SMILESCCC(N[C@H](C)c1cccc(Br)c1)C(N)=O
InChIInChI=1S/C12H17BrN2O/c1-3-11(12(14)16)15-8(2)9-5-4-6-10(13)7-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/t8-,11?/m1/s1
InChIKeyLIEPTAIIHDREQJ-RZZZFEHKSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[1-(3-bromophenyl)ethylamino]butanoate
CID 113292365
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide
CID 81372858
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
CID 81365724
2-(1-phenylethylamino)butanamide
CID 62899453
(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide
CID 35643780
2-[1-(3-bromophenyl)ethylamino]-2-phenylacetamide
CID 56811839
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]pentanoic acid
CID 83041861
(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 96528244
2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
CID 106344282
2-[1-(3-bromophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 60744879
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
CID 81382107
(2R)-2-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-1-ol
CID 28723457

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide?
The IUPAC name of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide (CID 81382347) is 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide.
What is the SMILES notation for 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide?
The canonical SMILES for 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide is CCC(N[C@H](C)c1cccc(Br)c1)C(N)=O.
What is the InChIKey of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide?
The InChIKey is LIEPTAIIHDREQJ-RZZZFEHKSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-11(12(14)16)15-8(2)9-5-4-6-10(13)7-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/t8-,11?/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide?
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide has a molecular weight of 285.19 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide is sourced from PubChem (CID 81382347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).