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

C14H15NO2S — CID 81191302

IUPAC4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol
SMILESCc1c(N)cccc1S(=O)Cc1ccc(O)cc1
InChIInChI=1S/C14H15NO2S/c1-10-13(15)3-2-4-14(10)18(17)9-11-5-7-12(16)8-6-11/h2-8,16H,9,15H2,1H3
InChIKeyODVGQCFZOXEABC-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.59
Rot. Bonds3

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

4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol (PubChem CID 81191302) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol.

Molecular Properties

Compound Name4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol
PubChem CID81191302
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol
SMILESCc1c(N)cccc1S(=O)Cc1ccc(O)cc1
InChIInChI=1S/C14H15NO2S/c1-10-13(15)3-2-4-14(10)18(17)9-11-5-7-12(16)8-6-11/h2-8,16H,9,15H2,1H3
InChIKeyODVGQCFZOXEABC-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-[(3,4-dichlorophenyl)methylsulfinyl]-2-methylaniline
CID 81190387
3-[(3-chlorophenyl)methylsulfinyl]-2-methylaniline
CID 81190457
3-ethylsulfinyl-2-methylaniline
CID 81191050
2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide
CID 81191234
4-[(3-aminophenyl)sulfinylmethyl]phenol
CID 81181347
[4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328972
3-[(3-bromo-2,6-difluorophenyl)methylsulfinyl]-2-methylaniline
CID 106273419
3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol
CID 81180617
2-(3-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81190716
2-(3-amino-2-methylphenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81190292
3-(4-methoxybutylsulfinyl)-2-methylaniline
CID 104651008
2-[(4-chlorophenyl)methylsulfinyl]-6-methylaniline
CID 81186937

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol?
The IUPAC name of 4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol (CID 81191302) is 4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol.
What is the SMILES notation for 4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol?
The canonical SMILES for 4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol is Cc1c(N)cccc1S(=O)Cc1ccc(O)cc1.
What is the InChIKey of 4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol?
The InChIKey is ODVGQCFZOXEABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-13(15)3-2-4-14(10)18(17)9-11-5-7-12(16)8-6-11/h2-8,16H,9,15H2,1H3.
What are the key properties of 4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol?
4-[(3-amino-2-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 4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol is sourced from PubChem (CID 81191302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).