2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide

C14H21BrN2O — CID 112685371

IUPAC2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-11(2)8-16-14(18)10-17(3)9-12-5-4-6-13(15)7-12/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyQSBLCEBAGMTCRG-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.65
Rot. Bonds6

About 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide

2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 112685371) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID112685371
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-11(2)8-16-14(18)10-17(3)9-12-5-4-6-13(15)7-12/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyQSBLCEBAGMTCRG-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 86976781
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 51254044
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8780580
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107878631
2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 171702396
(2S)-2-[(3-bromophenyl)methyl-propanoylamino]-N-(2-methylpropyl)propanamide
CID 100730978
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60694428
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 55354120
N-[(3-bromophenyl)methyl]-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 100730996
2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide (CID 112685371) is 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is QSBLCEBAGMTCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11(2)8-16-14(18)10-17(3)9-12-5-4-6-13(15)7-12/h4-7,11H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 313.24 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 112685371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).