N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine

C17H21NOS — CID 105350936

IUPACN-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
SMILESCNCCc1ccc(COc2ccc(SC)cc2)cc1
InChIInChI=1S/C17H21NOS/c1-18-12-11-14-3-5-15(6-4-14)13-19-16-7-9-17(20-2)10-8-16/h3-10,18H,11-13H2,1-2H3
InChIKeyRWLOWAMHUAIGBA-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.75
Rot. Bonds7

About N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine

N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine (PubChem CID 105350936) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
PubChem CID105350936
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
SMILESCNCCc1ccc(COc2ccc(SC)cc2)cc1
InChIInChI=1S/C17H21NOS/c1-18-12-11-14-3-5-15(6-4-14)13-19-16-7-9-17(20-2)10-8-16/h3-10,18H,11-13H2,1-2H3
InChIKeyRWLOWAMHUAIGBA-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350932
2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
CID 105350569
4-[(4-methylsulfanylphenyl)methoxy]aniline
CID 54908756
N-methyl-N'-[2-(4-methylsulfanylphenyl)ethyl]butane-1,4-diamine
CID 115202135
3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63649226
4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine
CID 69309683
2-(4-fluorophenoxy)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 110790579
[5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 63648050
1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
CID 142678583
3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 115153341
1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
4-[4-[2-(methylamino)ethyl]phenoxy]phenol
CID 11514269

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine (CID 105350936) is N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine is CNCCc1ccc(COc2ccc(SC)cc2)cc1.
What is the InChIKey of N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine?
The InChIKey is RWLOWAMHUAIGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-18-12-11-14-3-5-15(6-4-14)13-19-16-7-9-17(20-2)10-8-16/h3-10,18H,11-13H2,1-2H3.
What are the key properties of N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine?
N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 105350936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).