2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine

C14H22BrNOS — CID 116761862

IUPAC2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(Br)s2)NC)CCCC1
InChIInChI=1S/C14H22BrNOS/c1-3-17-14(8-4-5-9-14)12(16-2)10-11-6-7-13(15)18-11/h6-7,12,16H,3-5,8-10H2,1-2H3
InChIKeyUDFBBGQPKOLJQI-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.99
Rot. Bonds6

About 2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine

2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine (PubChem CID 116761862) has the molecular formula C14H22BrNOS and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
PubChem CID116761862
Molecular FormulaC14H22BrNOS
Molecular Weight332.31 g/mol
Exact Mass331.06
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(Br)s2)NC)CCCC1
InChIInChI=1S/C14H22BrNOS/c1-3-17-14(8-4-5-9-14)12(16-2)10-11-6-7-13(15)18-11/h6-7,12,16H,3-5,8-10H2,1-2H3
InChIKeyUDFBBGQPKOLJQI-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763846
2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116762033
2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116769276
[1-(1-ethoxycyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105276332
1-(1-ethoxycyclopentyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 116761943
2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765716
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764052
1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 116770809
1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 116763842
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763865
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116761910
1-(1-ethoxycyclohexyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348398

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine (CID 116761862) is 2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine is CCOC1(C(Cc2ccc(Br)s2)NC)CCCC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine?
The InChIKey is UDFBBGQPKOLJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNOS/c1-3-17-14(8-4-5-9-14)12(16-2)10-11-6-7-13(15)18-11/h6-7,12,16H,3-5,8-10H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine?
2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine has a molecular weight of 332.31 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine is sourced from PubChem (CID 116761862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).