2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide

C15H17BrN2OS — CID 106591084

IUPAC2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1cc(Br)cs1)c1cccc(N)c1
InChIInChI=1S/C15H17BrN2OS/c1-10(11-4-3-5-13(17)6-11)15(19)18(2)8-14-7-12(16)9-20-14/h3-7,9-10H,8,17H2,1-2H3
InChIKeyOLSPDQBZWSNRGV-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.85
Rot. Bonds4

About 2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide

2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide (PubChem CID 106591084) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide
PubChem CID106591084
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1cc(Br)cs1)c1cccc(N)c1
InChIInChI=1S/C15H17BrN2OS/c1-10(11-4-3-5-13(17)6-11)15(19)18(2)8-14-7-12(16)9-20-14/h3-7,9-10H,8,17H2,1-2H3
InChIKeyOLSPDQBZWSNRGV-UHFFFAOYSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
CID 106591692
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 106591019
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
CID 106590925
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616
4-[(4-bromothiophen-2-yl)methyl-methylamino]-3-methyl-4-oxobutanoic acid
CID 115164633
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
CID 106590965
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanediamide
CID 54872226
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide
CID 106112087
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide
CID 61109461

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide (CID 106591084) is 2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide is CC(C(=O)N(C)Cc1cc(Br)cs1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide?
The InChIKey is OLSPDQBZWSNRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-10(11-4-3-5-13(17)6-11)15(19)18(2)8-14-7-12(16)9-20-14/h3-7,9-10H,8,17H2,1-2H3.
What are the key properties of 2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide?
2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide has a molecular weight of 353.29 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 106591084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).