2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol

C11H19NO2S — CID 81128612

IUPAC2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol
SMILESCCCC(CN)C(O)c1sccc1OC
InChIInChI=1S/C11H19NO2S/c1-3-4-8(7-12)10(13)11-9(14-2)5-6-15-11/h5-6,8,10,13H,3-4,7,12H2,1-2H3
InChIKeyJVZUHEFZNOCCNB-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.17
Rot. Bonds6

About 2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol

2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol (PubChem CID 81128612) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol
PubChem CID81128612
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol
SMILESCCCC(CN)C(O)c1sccc1OC
InChIInChI=1S/C11H19NO2S/c1-3-4-8(7-12)10(13)11-9(14-2)5-6-15-11/h5-6,8,10,13H,3-4,7,12H2,1-2H3
InChIKeyJVZUHEFZNOCCNB-UHFFFAOYSA-N
XLogP2.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol
CID 79975322
1-(3-methoxythiophen-2-yl)decan-1-ol
CID 115782906
2-(aminomethyl)-1-(5-bromo-2-methoxyphenyl)pentan-1-ol
CID 79415351
1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol
CID 82987065
2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine
CID 105013840
2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol
CID 79415266
3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol
CID 81129934
1-(3-methoxythiophen-2-yl)propylhydrazine
CID 105281967
1-(3-methoxythiophen-2-yl)nonylhydrazine
CID 105294508
2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 79412165
(3-methoxythiophen-2-yl)-(2-propoxyphenyl)methanol
CID 115833017
(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 115798642

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol (CID 81128612) is 2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol is CCCC(CN)C(O)c1sccc1OC.
What is the InChIKey of 2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol?
The InChIKey is JVZUHEFZNOCCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-3-4-8(7-12)10(13)11-9(14-2)5-6-15-11/h5-6,8,10,13H,3-4,7,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol?
2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol has a molecular weight of 229.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol is sourced from PubChem (CID 81128612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).