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

C14H16BrNS — CID 60818969

IUPAC2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1cccs1
InChIInChI=1S/C14H16BrNS/c1-2-16-13(14-7-4-8-17-14)10-11-5-3-6-12(15)9-11/h3-9,13,16H,2,10H2,1H3
InChIKeyXOCSFPXWPDOTDI-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.40
Rot. Bonds5

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

2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine (PubChem CID 60818969) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine
PubChem CID60818969
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1cccs1
InChIInChI=1S/C14H16BrNS/c1-2-16-13(14-7-4-8-17-14)10-11-5-3-6-12(15)9-11/h3-9,13,16H,2,10H2,1H3
InChIKeyXOCSFPXWPDOTDI-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

N-ethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride
CID 3061989
2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122653
2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 54911205
(1R)-N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine
CID 92968196
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001
N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine
CID 55095629
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 62491546
2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105089518
2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63413364

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine (CID 60818969) is 2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine is CCNC(Cc1cccc(Br)c1)c1cccs1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine?
The InChIKey is XOCSFPXWPDOTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-2-16-13(14-7-4-8-17-14)10-11-5-3-6-12(15)9-11/h3-9,13,16H,2,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine?
2-(3-bromophenyl)-N-ethyl-1-thiophen-2-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-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 60818969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).