2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide

C18H21BrN2O — CID 120591489

IUPAC2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide
SMILESCN(CCc1ccc(Br)cc1)C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-18(20,15-6-4-3-5-7-15)17(22)21(2)13-12-14-8-10-16(19)11-9-14/h3-11H,12-13,20H2,1-2H3
InChIKeyXIYBQMBQPOMJEI-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.32
Rot. Bonds5

About 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide

2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide (PubChem CID 120591489) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide
PubChem CID120591489
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide
SMILESCN(CCc1ccc(Br)cc1)C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-18(20,15-6-4-3-5-7-15)17(22)21(2)13-12-14-8-10-16(19)11-9-14/h3-11H,12-13,20H2,1-2H3
InChIKeyXIYBQMBQPOMJEI-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589650
2-amino-N-(2-hydroxyethyl)-N-methyl-2-phenylpropanamide
CID 62487713
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155083
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62489282
2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 120590580
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 120586900
4-[3-[2-(4-bromophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119184024
2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride
CID 120590156
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013
N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide
CID 65487462
2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
CID 120597643

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide (CID 120591489) is 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide is CN(CCc1ccc(Br)cc1)C(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide?
The InChIKey is XIYBQMBQPOMJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-18(20,15-6-4-3-5-7-15)17(22)21(2)13-12-14-8-10-16(19)11-9-14/h3-11H,12-13,20H2,1-2H3.
What are the key properties of 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide?
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide has a molecular weight of 361.28 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 120591489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).