3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol

C21H18N2OS — CID 58352452

IUPAC3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol
SMILESC=c1ccc2c(c1)Sc1cc(N(C)Cc3cccc(O)c3)ccc1N=2
InChIInChI=1S/C21H18N2OS/c1-14-6-8-18-20(10-14)25-21-12-16(7-9-19(21)22-18)23(2)13-15-4-3-5-17(24)11-15/h3-12,24H,1,13H2,2H3
InChIKeyUJVIKFBIDIEXKL-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.85
Rot. Bonds3

About 3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol

3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol (PubChem CID 58352452) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol
PubChem CID58352452
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol
SMILESC=c1ccc2c(c1)Sc1cc(N(C)Cc3cccc(O)c3)ccc1N=2
InChIInChI=1S/C21H18N2OS/c1-14-6-8-18-20(10-14)25-21-12-16(7-9-19(21)22-18)23(2)13-15-4-3-5-17(24)11-15/h3-12,24H,1,13H2,2H3
InChIKeyUJVIKFBIDIEXKL-UHFFFAOYSA-N
XLogP3.85
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol?
The IUPAC name of 3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol (CID 58352452) is 3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol is C=c1ccc2c(c1)Sc1cc(N(C)Cc3cccc(O)c3)ccc1N=2.
What is the InChIKey of 3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol?
The InChIKey is UJVIKFBIDIEXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-14-6-8-18-20(10-14)25-21-12-16(7-9-19(21)22-18)23(2)13-15-4-3-5-17(24)11-15/h3-12,24H,1,13H2,2H3.
What are the key properties of 3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol?
3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol has a molecular weight of 346.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(7-methylidenephenothiazin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 58352452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).