1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine

C13H14BrNS — CID 62622178

IUPAC1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine
SMILESCC(N)(Cc1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C13H14BrNS/c1-13(15,10-5-3-2-4-6-10)9-11-7-8-12(14)16-11/h2-8H,9,15H2,1H3
InChIKeyYVEWKAJDINGHFW-UHFFFAOYSA-N
MW296.23 g/mol
LogP3.93
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine

1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine (PubChem CID 62622178) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine
PubChem CID62622178
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine
SMILESCC(N)(Cc1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C13H14BrNS/c1-13(15,10-5-3-2-4-6-10)9-11-7-8-12(14)16-11/h2-8H,9,15H2,1H3
InChIKeyYVEWKAJDINGHFW-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 62622744
1-(5-bromothiophen-2-yl)-2-(4-ethylphenyl)propan-2-amine
CID 62622583
2-(2-bromophenyl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 55096158
2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
CID 79447333
2-(4-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine
CID 55096063
3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
CID 62619965
2-[(5-bromothiophen-2-yl)methyl]-2-methylbutanoic acid
CID 62740253
3-amino-2-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899923
2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 55096110
4-[1-(5-bromothiophen-2-yl)-2-hydroxypropan-2-yl]phenol
CID 83075163
1-[3-(2-amino-2-phenylpropyl)phenyl]-2-phenylpropan-2-amine
CID 175440072
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine (CID 62622178) is 1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine is CC(N)(Cc1ccc(Br)s1)c1ccccc1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine?
The InChIKey is YVEWKAJDINGHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-13(15,10-5-3-2-4-6-10)9-11-7-8-12(14)16-11/h2-8H,9,15H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine?
1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine has a molecular weight of 296.23 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine is sourced from PubChem (CID 62622178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).