1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine

C15H18BrNS — CID 105087550

IUPAC1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
SMILESNC(CCCc1cccs1)Cc1ccccc1Br
InChIInChI=1S/C15H18BrNS/c16-15-9-2-1-5-12(15)11-13(17)6-3-7-14-8-4-10-18-14/h1-2,4-5,8-10,13H,3,6-7,11,17H2
InChIKeyHDRYMULZLXSEOE-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.40
Rot. Bonds6

About 1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine

1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine (PubChem CID 105087550) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
PubChem CID105087550
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
SMILESNC(CCCc1cccs1)Cc1ccccc1Br
InChIInChI=1S/C15H18BrNS/c16-15-9-2-1-5-12(15)11-13(17)6-3-7-14-8-4-10-18-14/h1-2,4-5,8-10,13H,3,6-7,11,17H2
InChIKeyHDRYMULZLXSEOE-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 107312356
1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105178908
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63776300
1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105169170
1-naphthalen-2-yl-5-thiophen-2-ylpentan-2-amine
CID 63526837
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine
CID 105178514
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105133282
1-pyridin-3-yl-5-thiophen-2-ylpentan-2-amine
CID 105179968
2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773561
7-thiophen-2-ylheptan-3-amine
CID 64505571
6-thiophen-2-ylhex-1-en-3-amine
CID 105161209

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine (CID 105087550) is 1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine is NC(CCCc1cccs1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine?
The InChIKey is HDRYMULZLXSEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c16-15-9-2-1-5-12(15)11-13(17)6-3-7-14-8-4-10-18-14/h1-2,4-5,8-10,13H,3,6-7,11,17H2.
What are the key properties of 1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine?
1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine has a molecular weight of 324.29 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105087550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).