1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine

C12H11BrClNS — CID 61079625

IUPAC1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccc(Br)s1
InChIInChI=1S/C12H11BrClNS/c13-12-6-5-11(16-12)10(15)7-8-1-3-9(14)4-2-8/h1-6,10H,7,15H2
InChIKeyPVYPCJOAUHMZIB-UHFFFAOYSA-N
MW316.65 g/mol
LogP4.41
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine

1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine (PubChem CID 61079625) has the molecular formula C12H11BrClNS and a molecular weight of 316.65 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine
PubChem CID61079625
Molecular FormulaC12H11BrClNS
Molecular Weight316.65 g/mol
Exact Mass314.95
IUPAC Name1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccc(Br)s1
InChIInChI=1S/C12H11BrClNS/c13-12-6-5-11(16-12)10(15)7-8-1-3-9(14)4-2-8/h1-6,10H,7,15H2
InChIKeyPVYPCJOAUHMZIB-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.65
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 55148283
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanamine
CID 62504605
2-(5-bromothiophen-2-yl)-1-(4-chlorophenyl)ethanamine
CID 62607913
1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanamine
CID 80530877
2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine
CID 114790395
1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864081
(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride
CID 171222508
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052629
2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782981
2-(4-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 61079815
2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine
CID 102763560

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine (CID 61079625) is 1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine is NC(Cc1ccc(Cl)cc1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine?
The InChIKey is PVYPCJOAUHMZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNS/c13-12-6-5-11(16-12)10(15)7-8-1-3-9(14)4-2-8/h1-6,10H,7,15H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine?
1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine has a molecular weight of 316.65 g/mol, XLogP of 4.41, 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-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 61079625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).