[3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol

C15H18N2OS — CID 11265803

IUPAC[3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol
SMILESCNCc1ccccc1Sc1ccc(CO)cc1N
InChIInChI=1S/C15H18N2OS/c1-17-9-12-4-2-3-5-14(12)19-15-7-6-11(10-18)8-13(15)16/h2-8,17-18H,9-10,16H2,1H3
InChIKeyMVOUTMRHQVFORJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.63
Rot. Bonds5

About [3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol

[3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol (PubChem CID 11265803) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is [3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol
PubChem CID11265803
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name[3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol
SMILESCNCc1ccccc1Sc1ccc(CO)cc1N
InChIInChI=1S/C15H18N2OS/c1-17-9-12-4-2-3-5-14(12)19-15-7-6-11(10-18)8-13(15)16/h2-8,17-18H,9-10,16H2,1H3
InChIKeyMVOUTMRHQVFORJ-UHFFFAOYSA-N
XLogP2.63
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol?
The IUPAC name of [3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol (CID 11265803) is [3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol?
The canonical SMILES for [3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol is CNCc1ccccc1Sc1ccc(CO)cc1N.
What is the InChIKey of [3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol?
The InChIKey is MVOUTMRHQVFORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-17-9-12-4-2-3-5-14(12)19-15-7-6-11(10-18)8-13(15)16/h2-8,17-18H,9-10,16H2,1H3.
What are the key properties of [3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol?
[3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol has a molecular weight of 274.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 11265803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).