1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol

C14H17NO3S — CID 107779961

IUPAC1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol
SMILESCc1occc1SCC(O)COc1cccc(N)c1
InChIInChI=1S/C14H17NO3S/c1-10-14(5-6-17-10)19-9-12(16)8-18-13-4-2-3-11(15)7-13/h2-7,12,16H,8-9,15H2,1H3
InChIKeyKGSJDEXSHHIKHD-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.70
Rot. Bonds6

About 1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol

1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol (PubChem CID 107779961) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol
PubChem CID107779961
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol
SMILESCc1occc1SCC(O)COc1cccc(N)c1
InChIInChI=1S/C14H17NO3S/c1-10-14(5-6-17-10)19-9-12(16)8-18-13-4-2-3-11(15)7-13/h2-7,12,16H,8-9,15H2,1H3
InChIKeyKGSJDEXSHHIKHD-UHFFFAOYSA-N
XLogP2.70
TPSA68.62 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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 62268494
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
1-(3-aminophenoxy)-3-(3-hydroxypropylsulfanyl)propan-2-ol
CID 66113610
3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol
CID 104922695
1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
1-(3-aminophenoxy)-3-(oxan-4-ylsulfanyl)propan-2-ol
CID 55141495
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537
1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260
1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
CID 51222930
1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol
CID 23389743
1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364468
1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol
CID 61425754

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol (CID 107779961) is 1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol is Cc1occc1SCC(O)COc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol?
The InChIKey is KGSJDEXSHHIKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-10-14(5-6-17-10)19-9-12(16)8-18-13-4-2-3-11(15)7-13/h2-7,12,16H,8-9,15H2,1H3.
What are the key properties of 1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol?
1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol has a molecular weight of 279.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 107779961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).