[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

4-[methyl-[(4-methylsulfinylphenyl)methyl]amino]butan-1-ol
CID 111799482
N-methyl-N-[(3-methylphenyl)methyl]-1-[4-[(S)-methylsulfinyl]phenyl]methanamine
CID 124610996
1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol
CID 110009104
7-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]heptanamide;hydrochloride
CID 119807762
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491
[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]methanol
CID 110008128
4-[(dimethylamino)methyl]benzenesulfinic acid
CID 20583484
N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide
CID 142909549
[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol
CID 110009651
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111799496
[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol
CID 112631198
2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol
CID 71973291

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).