N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine

C16H19NOS — CID 55244244

IUPACN-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine
SMILESCNC(C)c1ccccc1Oc1ccccc1SC
InChIInChI=1S/C16H19NOS/c1-12(17-2)13-8-4-5-9-14(13)18-15-10-6-7-11-16(15)19-3/h4-12,17H,1-3H3
InChIKeyURUCLMQQBBFRLB-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.48
Rot. Bonds5

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

N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine (PubChem CID 55244244) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine
PubChem CID55244244
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine
SMILESCNC(C)c1ccccc1Oc1ccccc1SC
InChIInChI=1S/C16H19NOS/c1-12(17-2)13-8-4-5-9-14(13)18-15-10-6-7-11-16(15)19-3/h4-12,17H,1-3H3
InChIKeyURUCLMQQBBFRLB-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-bromophenoxy)phenyl]-N-methylethanamine
CID 43284837
1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine
CID 43285451
1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine
CID 104707855
1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 63649355
1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]-N-ethylethanamine
CID 82953588
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 82956259
N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43285337
1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62337869
(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
CID 137320021
3-(difluoromethyl)-4-(2-methylsulfanylphenoxy)aniline
CID 63735003
1-[2-(4-bromo-2-nitrophenoxy)phenyl]-N-methylethanamine
CID 65430547
(2-methylsulfanylphenyl) hypoiodite
CID 144554638

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine (CID 55244244) is N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine is CNC(C)c1ccccc1Oc1ccccc1SC.
What is the InChIKey of N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine?
The InChIKey is URUCLMQQBBFRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12(17-2)13-8-4-5-9-14(13)18-15-10-6-7-11-16(15)19-3/h4-12,17H,1-3H3.
What are the key properties of N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine?
N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine has a molecular weight of 273.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 55244244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).