2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide

C12H17BrN2O — CID 81383906

IUPAC2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-8(15-9(2)12(16)14-3)10-6-4-5-7-11(10)13/h4-9,15H,1-3H3,(H,14,16)/t8-,9?/m1/s1
InChIKeyZOJIPVFKUNGGFS-VEDVMXKPSA-N
MW285.19 g/mol
LogP2.23
Rot. Bonds4

About 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide

2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide (PubChem CID 81383906) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide
PubChem CID81383906
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-8(15-9(2)12(16)14-3)10-6-4-5-7-11(10)13/h4-9,15H,1-3H3,(H,14,16)/t8-,9?/m1/s1
InChIKeyZOJIPVFKUNGGFS-VEDVMXKPSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
CID 81383449
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
2-[1-(2-bromophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 112768810
2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 112811581
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 81383277
(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
CID 103740453
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]butanoic acid
CID 81383676
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide
CID 81327934
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195760

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide (CID 81383906) is 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide is CNC(=O)C(C)N[C@H](C)c1ccccc1Br.
What is the InChIKey of 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide?
The InChIKey is ZOJIPVFKUNGGFS-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8(15-9(2)12(16)14-3)10-6-4-5-7-11(10)13/h4-9,15H,1-3H3,(H,14,16)/t8-,9?/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide?
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide has a molecular weight of 285.19 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide is sourced from PubChem (CID 81383906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).