N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide

C13H19BrN2O — CID 79195760

IUPACN-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-9(8-15-3)13(17)16-10(2)11-6-4-5-7-12(11)14/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyJWTPSTGNUUDYGO-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.48
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide

N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 79195760) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID79195760
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-9(8-15-3)13(17)16-10(2)11-6-4-5-7-12(11)14/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyJWTPSTGNUUDYGO-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 81397513
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-methylsulfonylpropanamide
CID 122144544
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
2-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]-3-methylbutanamide
CID 81383036
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 113416387
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119716596
2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
CID 119269427
2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide
CID 43701793
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide (CID 79195760) is N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is JWTPSTGNUUDYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(8-15-3)13(17)16-10(2)11-6-4-5-7-12(11)14/h4-7,9-10,15H,8H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 299.21 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79195760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).