2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol

C13H17NO2S — CID 111468669

IUPAC2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCc1ccsc1CNCC(C)(O)c1ccco1
InChIInChI=1S/C13H17NO2S/c1-10-5-7-17-11(10)8-14-9-13(2,15)12-4-3-6-16-12/h3-7,14-15H,8-9H2,1-2H3
InChIKeyPGEQLEKDVPVPIE-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.65
Rot. Bonds5

About 2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol

2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol (PubChem CID 111468669) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
PubChem CID111468669
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCc1ccsc1CNCC(C)(O)c1ccco1
InChIInChI=1S/C13H17NO2S/c1-10-5-7-17-11(10)8-14-9-13(2,15)12-4-3-6-16-12/h3-7,14-15H,8-9H2,1-2H3
InChIKeyPGEQLEKDVPVPIE-UHFFFAOYSA-N
XLogP2.65
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol
CID 78956096
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
CID 111468637
1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468634
2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
CID 111468723
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468736
1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol
CID 75387516
2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol
CID 111468628
3,3-dimethyl-4-[(3-methylthiophen-2-yl)methylamino]butanoic acid
CID 115220368
4-bromo-2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]phenol
CID 111468701
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775
1-(3-methyl-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 63305626

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol?
The IUPAC name of 2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol (CID 111468669) is 2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol is Cc1ccsc1CNCC(C)(O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol?
The InChIKey is PGEQLEKDVPVPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-10-5-7-17-11(10)8-14-9-13(2,15)12-4-3-6-16-12/h3-7,14-15H,8-9H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol?
2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol has a molecular weight of 251.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 111468669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).