2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine

C13H13BrClNS — CID 55096110

IUPAC2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
SMILESCC(N)(Cc1ccc(Cl)s1)c1cccc(Br)c1
InChIInChI=1S/C13H13BrClNS/c1-13(16,8-11-5-6-12(15)17-11)9-3-2-4-10(14)7-9/h2-7H,8,16H2,1H3
InChIKeyLPAHWCSGRFJKJH-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.58
Rot. Bonds3

About 2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine

2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine (PubChem CID 55096110) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
PubChem CID55096110
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
SMILESCC(N)(Cc1ccc(Cl)s1)c1cccc(Br)c1
InChIInChI=1S/C13H13BrClNS/c1-13(16,8-11-5-6-12(15)17-11)9-3-2-4-10(14)7-9/h2-7H,8,16H2,1H3
InChIKeyLPAHWCSGRFJKJH-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.68
LogP ≤ 54.58
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
2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 82780180
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)propan-2-amine
CID 63408364
1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine
CID 62622178
1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine
CID 62619974
4-amino-4-(3-bromophenyl)pentan-1-ol
CID 116861781
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959
2-(4-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine
CID 55096063
1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 60797838
2-(3-bromophenyl)-6-methylheptan-2-amine
CID 83158078
3-(3-bromophenyl)-3-methylbutan-2-amine
CID 83693037
2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 79744166

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine?
The IUPAC name of 2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine (CID 55096110) is 2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine?
The canonical SMILES for 2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine is CC(N)(Cc1ccc(Cl)s1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine?
The InChIKey is LPAHWCSGRFJKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-13(16,8-11-5-6-12(15)17-11)9-3-2-4-10(14)7-9/h2-7H,8,16H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine?
2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine has a molecular weight of 330.68 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine is sourced from PubChem (CID 55096110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).