[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol

C16H19NOS — CID 103648640

IUPAC[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol
SMILESCSc1ccc(CNCc2cccc(CO)c2)cc1
InChIInChI=1S/C16H19NOS/c1-19-16-7-5-13(6-8-16)10-17-11-14-3-2-4-15(9-14)12-18/h2-9,17-18H,10-12H2,1H3
InChIKeyMHYNTWVENQSKJU-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.19
Rot. Bonds6

About [3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol

[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol (PubChem CID 103648640) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is [3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol
PubChem CID103648640
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol
SMILESCSc1ccc(CNCc2cccc(CO)c2)cc1
InChIInChI=1S/C16H19NOS/c1-19-16-7-5-13(6-8-16)10-17-11-14-3-2-4-15(9-14)12-18/h2-9,17-18H,10-12H2,1H3
InChIKeyMHYNTWVENQSKJU-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61003267
[3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol
CID 107230485
1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 60584572
[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
CID 103648633
N-[[3-[(4-methylsulfanylphenoxy)methyl]phenyl]methyl]ethanamine
CID 63649093
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylsulfanylbenzamide
CID 63311148
1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 107230534
N-benzyl-2-(4-methylsulfanylphenyl)ethanamine
CID 102197359
2-fluoro-5-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 103860002
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
CID 107230392
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 738585
2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
CID 103648527

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol (CID 103648640) is [3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol is CSc1ccc(CNCc2cccc(CO)c2)cc1.
What is the InChIKey of [3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol?
The InChIKey is MHYNTWVENQSKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-19-16-7-5-13(6-8-16)10-17-11-14-3-2-4-15(9-14)12-18/h2-9,17-18H,10-12H2,1H3.
What are the key properties of [3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol?
[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol has a molecular weight of 273.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 103648640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).