3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol

C14H15NO2S — CID 81180617

IUPAC3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol
SMILESCc1ccc(S(=O)Cc2cccc(O)c2)c(N)c1
InChIInChI=1S/C14H15NO2S/c1-10-5-6-14(13(15)7-10)18(17)9-11-3-2-4-12(16)8-11/h2-8,16H,9,15H2,1H3
InChIKeyIZGJALATCGHVQJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.59
Rot. Bonds3

About 3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol

3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol (PubChem CID 81180617) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol.

Molecular Properties

Compound Name3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol
PubChem CID81180617
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol
SMILESCc1ccc(S(=O)Cc2cccc(O)c2)c(N)c1
InChIInChI=1S/C14H15NO2S/c1-10-5-6-14(13(15)7-10)18(17)9-11-3-2-4-12(16)8-11/h2-8,16H,9,15H2,1H3
InChIKeyIZGJALATCGHVQJ-UHFFFAOYSA-N
XLogP2.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol
CID 81207693
2-[(2-chloro-4-methylphenyl)methylsulfinyl]-5-methylaniline
CID 106870995
3-[(2-amino-5-methylphenyl)sulfinylmethyl]benzonitrile
CID 81183808
4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol
CID 81191302
2-[(2-fluoro-3-methoxyphenyl)methylsulfinyl]-5-methylaniline
CID 104795741
2-[(2-methoxy-5-methylphenyl)methylsulfinyl]-5-methylaniline
CID 81181331
2-[(2-amino-4-methylphenyl)sulfinylmethyl]benzonitrile
CID 81180697
3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol
CID 81183738
2-[(2-chloro-6-nitrophenyl)methylsulfinyl]-5-methylaniline
CID 81180362
2-(ethoxymethylsulfinyl)-5-methylaniline
CID 81181343
5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline
CID 81181147
2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
CID 81181244

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol?
The IUPAC name of 3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol (CID 81180617) is 3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol.
What is the SMILES notation for 3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol?
The canonical SMILES for 3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol is Cc1ccc(S(=O)Cc2cccc(O)c2)c(N)c1.
What is the InChIKey of 3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol?
The InChIKey is IZGJALATCGHVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-5-6-14(13(15)7-10)18(17)9-11-3-2-4-12(16)8-11/h2-8,16H,9,15H2,1H3.
What are the key properties of 3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol?
3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol has a molecular weight of 261.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol is sourced from PubChem (CID 81180617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).