2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol

C16H21NO2S — CID 115630548

IUPAC2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol
SMILESCSCc1ccc(CNC(C)(CO)c2ccccc2)o1
InChIInChI=1S/C16H21NO2S/c1-16(12-18,13-6-4-3-5-7-13)17-10-14-8-9-15(19-14)11-20-2/h3-9,17-18H,10-12H2,1-2H3
InChIKeyFRKRMNIQSYHCBU-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.14
Rot. Bonds7

About 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol

2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol (PubChem CID 115630548) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol
PubChem CID115630548
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol
SMILESCSCc1ccc(CNC(C)(CO)c2ccccc2)o1
InChIInChI=1S/C16H21NO2S/c1-16(12-18,13-6-4-3-5-7-13)17-10-14-8-9-15(19-14)11-20-2/h3-9,17-18H,10-12H2,1-2H3
InChIKeyFRKRMNIQSYHCBU-UHFFFAOYSA-N
XLogP3.14
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
CID 64550167
2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol
CID 115630511
2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol
CID 66169654
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol
CID 113234125
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-[5-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]thiophen-2-yl]acetic acid
CID 105057816
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 61166436
3,3-dimethyl-4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
CID 103708039
2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
CID 115742081
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 105057934
2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol
CID 115630532

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol (CID 115630548) is 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol is CSCc1ccc(CNC(C)(CO)c2ccccc2)o1.
What is the InChIKey of 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol?
The InChIKey is FRKRMNIQSYHCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-16(12-18,13-6-4-3-5-7-13)17-10-14-8-9-15(19-14)11-20-2/h3-9,17-18H,10-12H2,1-2H3.
What are the key properties of 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol?
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol has a molecular weight of 291.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol is sourced from PubChem (CID 115630548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).