[4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol

C17H21NO2S — CID 110009214

IUPAC[4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol
SMILESCN(Cc1ccc(CO)cc1)Cc1ccc(S(C)=O)cc1
InChIInChI=1S/C17H21NO2S/c1-18(11-14-3-5-16(13-19)6-4-14)12-15-7-9-17(10-8-15)21(2)20/h3-10,19H,11-13H2,1-2H3
InChIKeyRBLCCRDXPWRNPD-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.55
Rot. Bonds6

About [4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol

[4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol (PubChem CID 110009214) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is [4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol
PubChem CID110009214
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name[4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol
SMILESCN(Cc1ccc(CO)cc1)Cc1ccc(S(C)=O)cc1
InChIInChI=1S/C17H21NO2S/c1-18(11-14-3-5-16(13-19)6-4-14)12-15-7-9-17(10-8-15)21(2)20/h3-10,19H,11-13H2,1-2H3
InChIKeyRBLCCRDXPWRNPD-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol
CID 9865652
[2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-5-(123I)iodophenyl]methanol
CID 9930573
[2-[2-[(Dimethylamino)methyl]-4-iodophenyl]sulfanylphenyl]methanol
CID 71521332
[2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-fluoro-phenyl]-methanol
CID 11077164
2-(1-Benzyl-piperidin-4-yl)-1-(4-methylsulfanyl-phenyl)-ethanol
CID 10042965
[2-[2-[(dimethylamino)methyl]-4-(125I)iodophenyl]sulfanylphenyl]methanol
CID 71521439
2-{[4-(Methylsulfanyl)benzyl]amino}-1-phenylethanol
CID 2984279
[2-[(Dimethylamino)methyl]phenyl]sulfanyl-(3-fluorophenyl)methanol
CID 67900804
[4-[2-[(Dimethylamino)methyl]-4-fluorophenyl]sulfanylphenyl]methanol
CID 140360645
(1R,2S)-2-[chloro-[(1R)-1-phenylethyl]amino]-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
CID 141466491
(1R,2S)-2-[chloro-[(1S)-1-phenylethyl]amino]-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
CID 141466492
[4-[3-[(3,5-Difluorophenyl)-methylsulfonylmethylidene]-1-methylazetidin-2-yl]phenyl]methanol
CID 153769519

Frequently Asked Questions

What is the IUPAC name of [4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol (CID 110009214) is [4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol is CN(Cc1ccc(CO)cc1)Cc1ccc(S(C)=O)cc1.
What is the InChIKey of [4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol?
The InChIKey is RBLCCRDXPWRNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-18(11-14-3-5-16(13-19)6-4-14)12-15-7-9-17(10-8-15)21(2)20/h3-10,19H,11-13H2,1-2H3.
What are the key properties of [4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol?
[4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol has a molecular weight of 303.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 110009214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).