[1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol

C13H20BrNOS — CID 112739883

IUPAC[1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2cscc2Br)C1
InChIInChI=1S/C13H20BrNOS/c1-2-9-3-4-13(5-9,8-15)12(16)10-6-17-7-11(10)14/h6-7,9,12,16H,2-5,8,15H2,1H3
InChIKeyNHTFWJMRGRSOKR-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.70
Rot. Bonds4

About [1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol

[1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol (PubChem CID 112739883) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol
PubChem CID112739883
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name[1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2cscc2Br)C1
InChIInChI=1S/C13H20BrNOS/c1-2-9-3-4-13(5-9,8-15)12(16)10-6-17-7-11(10)14/h6-7,9,12,16H,2-5,8,15H2,1H3
InChIKeyNHTFWJMRGRSOKR-UHFFFAOYSA-N
XLogP3.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol (CID 112739883) is [1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol is CCC1CCC(CN)(C(O)c2cscc2Br)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol?
The InChIKey is NHTFWJMRGRSOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-2-9-3-4-13(5-9,8-15)12(16)10-6-17-7-11(10)14/h6-7,9,12,16H,2-5,8,15H2,1H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol?
[1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol has a molecular weight of 318.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol is sourced from PubChem (CID 112739883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).