N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine

C16H19NOS — CID 63647224

IUPACN-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
SMILESCNCc1cccc(COc2ccccc2SC)c1
InChIInChI=1S/C16H19NOS/c1-17-11-13-6-5-7-14(10-13)12-18-15-8-3-4-9-16(15)19-2/h3-10,17H,11-12H2,1-2H3
InChIKeyZCLJESIVHSJFHN-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.71
Rot. Bonds6

About N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine

N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine (PubChem CID 63647224) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
PubChem CID63647224
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
SMILESCNCc1cccc(COc2ccccc2SC)c1
InChIInChI=1S/C16H19NOS/c1-17-11-13-6-5-7-14(10-13)12-18-15-8-3-4-9-16(15)19-2/h3-10,17H,11-12H2,1-2H3
InChIKeyZCLJESIVHSJFHN-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine
CID 63649076
[3-[(2-methylsulfanylphenoxy)methyl]phenyl]boronic acid
CID 63647184
1-[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 79406092
1-[3-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459792
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
CID 106786332
1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 65201443
N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 62548589
N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452902
1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318666
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine
CID 62443917

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine (CID 63647224) is N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine is CNCc1cccc(COc2ccccc2SC)c1.
What is the InChIKey of N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine?
The InChIKey is ZCLJESIVHSJFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-17-11-13-6-5-7-14(10-13)12-18-15-8-3-4-9-16(15)19-2/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine?
N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine has a molecular weight of 273.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 63647224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).