2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine

C14H16BrNS — CID 60818853

IUPAC2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1ccsc1
InChIInChI=1S/C14H16BrNS/c1-2-16-14(12-7-8-17-10-12)9-11-3-5-13(15)6-4-11/h3-8,10,14,16H,2,9H2,1H3
InChIKeyWGRINUFGXBRPJG-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.40
Rot. Bonds5

About 2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine

2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine (PubChem CID 60818853) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
PubChem CID60818853
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1ccsc1
InChIInChI=1S/C14H16BrNS/c1-2-16-14(12-7-8-17-10-12)9-11-3-5-13(15)6-4-11/h3-8,10,14,16H,2,9H2,1H3
InChIKeyWGRINUFGXBRPJG-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095689
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095736
2-(5-bromothiophen-2-yl)-N-ethyl-1-thiophen-3-ylethanamine
CID 62602638
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
2-(4-bromophenyl)-1-thiophen-3-ylethanol
CID 60797618
N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 65477900
N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine
CID 62126444
N-ethyl-1-thiophen-3-ylbut-3-en-1-amine
CID 61380819
2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 63797423
N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 61065390

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine (CID 60818853) is 2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine is CCNC(Cc1ccc(Br)cc1)c1ccsc1.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine?
The InChIKey is WGRINUFGXBRPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-2-16-14(12-7-8-17-10-12)9-11-3-5-13(15)6-4-11/h3-8,10,14,16H,2,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine?
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine is sourced from PubChem (CID 60818853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).