2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine

C14H14BrClFNS — CID 55187772

IUPAC2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H14BrClFNS/c1-2-18-14(7-11-5-9(15)8-19-11)12-4-3-10(17)6-13(12)16/h3-6,8,14,18H,2,7H2,1H3
InChIKeyBKKCEGZGCDIGJL-UHFFFAOYSA-N
MW362.70 g/mol
LogP5.20
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine

2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine (PubChem CID 55187772) has the molecular formula C14H14BrClFNS and a molecular weight of 362.70 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
PubChem CID55187772
Molecular FormulaC14H14BrClFNS
Molecular Weight362.70 g/mol
Exact Mass360.97
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H14BrClFNS/c1-2-18-14(7-11-5-9(15)8-19-11)12-4-3-10(17)6-13(12)16/h3-6,8,14,18H,2,7H2,1H3
InChIKeyBKKCEGZGCDIGJL-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.70
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868416
N-((2-chlorophenyl)methyl)thiophene-3-ethylamine
CID 6454012
4-(2-chlorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
CID 21953224
2-Thenylamine, alpha-(m-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3061998
2-Thenylamine, alpha-(p-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3062002
2-Thenylamine, alpha-(p-bromobenzyl)-N-isopropyl-, hydrochloride
CID 3062011
2-(4-Chlorophenyl)-N-ethyl-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062045
N-((2-chlorophenyl)methyl)thiophene-2-ethylamine hydrochloride
CID 6454011
(2-Chloro-benzyl)-(5-methyl-thiophen-2-ylmethyl)-amine
CID 961442
2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 71896252
3-Bromo-2-(2-chloro-6-fluoro-benzyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
CID 11624973
N-[(2-Chlorophenyl)methyl]-2-(thiophen-3-yl)ethan-1-amine
CID 11970562

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine (CID 55187772) is 2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine is CCNC(Cc1cc(Br)cs1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine?
The InChIKey is BKKCEGZGCDIGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClFNS/c1-2-18-14(7-11-5-9(15)8-19-11)12-4-3-10(17)6-13(12)16/h3-6,8,14,18H,2,7H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine?
2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine has a molecular weight of 362.70 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 55187772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).