3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol

C13H15NO2S — CID 43771076

IUPAC3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol
SMILESCSCc1ccc(CNc2cccc(O)c2)o1
InChIInChI=1S/C13H15NO2S/c1-17-9-13-6-5-12(16-13)8-14-10-3-2-4-11(15)7-10/h2-7,14-15H,8-9H2,1H3
InChIKeyYAMVPEDFXBAZEE-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.46
Rot. Bonds5

About 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol

3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol (PubChem CID 43771076) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol.

Molecular Properties

Compound Name3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol
PubChem CID43771076
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol
SMILESCSCc1ccc(CNc2cccc(O)c2)o1
InChIInChI=1S/C13H15NO2S/c1-17-9-13-6-5-12(16-13)8-14-10-3-2-4-11(15)7-10/h2-7,14-15H,8-9H2,1H3
InChIKeyYAMVPEDFXBAZEE-UHFFFAOYSA-N
XLogP3.46
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022
3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43755673
3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol
CID 105472420
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-methylsulfonylaniline
CID 60923432
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-(trifluoromethoxy)aniline
CID 43766190
3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762015
3,5-difluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43765070
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762796
3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine
CID 115376649
[5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol
CID 84594625
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-benzothiophen-5-amine
CID 43781993

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol?
The IUPAC name of 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol (CID 43771076) is 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol.
What is the SMILES notation for 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol?
The canonical SMILES for 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol is CSCc1ccc(CNc2cccc(O)c2)o1.
What is the InChIKey of 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol?
The InChIKey is YAMVPEDFXBAZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-17-9-13-6-5-12(16-13)8-14-10-3-2-4-11(15)7-10/h2-7,14-15H,8-9H2,1H3.
What are the key properties of 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol?
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol has a molecular weight of 249.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol is sourced from PubChem (CID 43771076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).