(2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide

C12H17BrN2O — CID 103735378

IUPAC(2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide
SMILESC[C@@H](NCc1ccccc1Br)C(=O)N(C)C
InChIInChI=1S/C12H17BrN2O/c1-9(12(16)15(2)3)14-8-10-6-4-5-7-11(10)13/h4-7,9,14H,8H2,1-3H3/t9-/m1/s1
InChIKeyNBZOXLYCYHKEDA-SECBINFHSA-N
MW285.19 g/mol
LogP2.02
Rot. Bonds4

About (2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide

(2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 103735378) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is (2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide
PubChem CID103735378
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name(2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide
SMILESC[C@@H](NCc1ccccc1Br)C(=O)N(C)C
InChIInChI=1S/C12H17BrN2O/c1-9(12(16)15(2)3)14-8-10-6-4-5-7-11(10)13/h4-7,9,14H,8H2,1-3H3/t9-/m1/s1
InChIKeyNBZOXLYCYHKEDA-SECBINFHSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide
CID 95340452
(2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N,N-dimethylpropanamide
CID 86819558
methyl 2-[(2-bromophenyl)methylamino]propanoate
CID 60691069
methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 43778098
N,N-dimethyl-2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43778094
2-[(2-bromo-4-nitrophenyl)methylamino]-N,N-dimethylpropanamide
CID 61464382
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
(3S)-3-[(2-bromophenyl)methylamino]-4-methylpentanoic acid
CID 69229098
(2S,3S)-2-[(2-bromophenyl)methylamino]-3-methylpentanoic acid
CID 120510398
methyl 3-[(2-bromophenyl)methylamino]-2-methylbutanoate
CID 79392282
N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide
CID 103792586

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide (CID 103735378) is (2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide is C[C@@H](NCc1ccccc1Br)C(=O)N(C)C.
What is the InChIKey of (2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is NBZOXLYCYHKEDA-SECBINFHSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9(12(16)15(2)3)14-8-10-6-4-5-7-11(10)13/h4-7,9,14H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide?
(2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 285.19 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 103735378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).