[5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol

C14H16ClNO2S — CID 84594625

IUPAC[5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol
SMILESCSCc1cc(NCc2ccc(CO)o2)ccc1Cl
InChIInChI=1S/C14H16ClNO2S/c1-19-9-10-6-11(2-5-14(10)15)16-7-12-3-4-13(8-17)18-12/h2-6,16-17H,7-9H2,1H3
InChIKeyJCLVLJGMLLKSAI-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.90
Rot. Bonds6

About [5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol

[5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol (PubChem CID 84594625) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is [5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol
PubChem CID84594625
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name[5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol
SMILESCSCc1cc(NCc2ccc(CO)o2)ccc1Cl
InChIInChI=1S/C14H16ClNO2S/c1-19-9-10-6-11(2-5-14(10)15)16-7-12-3-4-13(8-17)18-12/h2-6,16-17H,7-9H2,1H3
InChIKeyJCLVLJGMLLKSAI-UHFFFAOYSA-N
XLogP3.90
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
CID 64593149
[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
CID 64578200
3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762015
3-chloro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4-propan-2-yloxyaniline
CID 43787429
2-chloro-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzonitrile
CID 64578988
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol
CID 43771076
3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine
CID 115376649
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-benzothiophen-5-amine
CID 43781993
4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762796
3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43755673
5-bromo-2-chloro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 62913568
3,5-difluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43765070

Frequently Asked Questions

What is the IUPAC name of [5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol (CID 84594625) is [5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol is CSCc1cc(NCc2ccc(CO)o2)ccc1Cl.
What is the InChIKey of [5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol?
The InChIKey is JCLVLJGMLLKSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-19-9-10-6-11(2-5-14(10)15)16-7-12-3-4-13(8-17)18-12/h2-6,16-17H,7-9H2,1H3.
What are the key properties of [5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol?
[5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol has a molecular weight of 297.81 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 84594625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).