[1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol

C13H20BrNO2 — CID 79135075

IUPAC[1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(Br)o2)C1
InChIInChI=1S/C13H20BrNO2/c1-2-9-5-6-13(7-9,8-15)12(16)10-3-4-11(14)17-10/h3-4,9,12,16H,2,5-8,15H2,1H3
InChIKeyGSGWYGOMAPSNPC-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.23
Rot. Bonds4

About [1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol

[1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol (PubChem CID 79135075) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol
PubChem CID79135075
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name[1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(Br)o2)C1
InChIInChI=1S/C13H20BrNO2/c1-2-9-5-6-13(7-9,8-15)12(16)10-3-4-11(14)17-10/h3-4,9,12,16H,2,5-8,15H2,1H3
InChIKeyGSGWYGOMAPSNPC-UHFFFAOYSA-N
XLogP3.23
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(5-bromofuran-2-yl)methanol
CID 126977179
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(5-bromofuran-2-yl)methanol
CID 79135610
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol
CID 79134973
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol
CID 79138645
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol
CID 83241847
[1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 79124113
[1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol
CID 112739883
[1-(aminomethyl)-3-ethylcyclopentyl]-(5-ethylthiophen-2-yl)methanol
CID 79137906
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol
CID 79135807
[1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol
CID 79138474
[1-(aminomethyl)-3-ethylcyclopentyl]-(3,5-dichlorophenyl)methanol
CID 79138188
[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889658

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol (CID 79135075) is [1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol is CCC1CCC(CN)(C(O)c2ccc(Br)o2)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol?
The InChIKey is GSGWYGOMAPSNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-2-9-5-6-13(7-9,8-15)12(16)10-3-4-11(14)17-10/h3-4,9,12,16H,2,5-8,15H2,1H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol?
[1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol has a molecular weight of 302.21 g/mol, XLogP of 3.23, 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]-(5-bromofuran-2-yl)methanol is sourced from PubChem (CID 79135075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).