[4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol

C14H17NO3S — CID 107742689

IUPAC[4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OC(CN)c1ccsc1
InChIInChI=1S/C14H17NO3S/c1-17-13-6-10(8-16)2-3-12(13)18-14(7-15)11-4-5-19-9-11/h2-6,9,14,16H,7-8,15H2,1H3
InChIKeySQIIJMFLJRHSSV-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.33
Rot. Bonds6

About [4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol

[4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol (PubChem CID 107742689) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is [4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol
PubChem CID107742689
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name[4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OC(CN)c1ccsc1
InChIInChI=1S/C14H17NO3S/c1-17-13-6-10(8-16)2-3-12(13)18-14(7-15)11-4-5-19-9-11/h2-6,9,14,16H,7-8,15H2,1H3
InChIKeySQIIJMFLJRHSSV-UHFFFAOYSA-N
XLogP2.33
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol
CID 107742711
[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
CID 107742816
2-(4-ethyl-2-methoxyphenoxy)-2-(4-methylphenyl)ethanamine
CID 107664014
2-(2,5-difluorophenoxy)-2-thiophen-3-ylethanamine
CID 63268980
[4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol
CID 107742769
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
2-(3-bromo-4-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 54971373
2-(4-ethyl-2-methoxyphenoxy)-2-(3-fluorophenyl)ethanamine
CID 107663995
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
CID 55095413
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
2-quinolin-5-yloxy-2-thiophen-3-ylethanamine
CID 103044128

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol?
The IUPAC name of [4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol (CID 107742689) is [4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol?
The canonical SMILES for [4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol is COc1cc(CO)ccc1OC(CN)c1ccsc1.
What is the InChIKey of [4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol?
The InChIKey is SQIIJMFLJRHSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-17-13-6-10(8-16)2-3-12(13)18-14(7-15)11-4-5-19-9-11/h2-6,9,14,16H,7-8,15H2,1H3.
What are the key properties of [4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol?
[4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol has a molecular weight of 279.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol is sourced from PubChem (CID 107742689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).