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

C17H21NO2S — CID 63649076

IUPACN-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine
SMILESCNCc1cccc(OCCOc2ccccc2SC)c1
InChIInChI=1S/C17H21NO2S/c1-18-13-14-6-5-7-15(12-14)19-10-11-20-16-8-3-4-9-17(16)21-2/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyANBXWPYCPQBQAY-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.59
Rot. Bonds8

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

N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine (PubChem CID 63649076) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine
PubChem CID63649076
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine
SMILESCNCc1cccc(OCCOc2ccccc2SC)c1
InChIInChI=1S/C17H21NO2S/c1-18-13-14-6-5-7-15(12-14)19-10-11-20-16-8-3-4-9-17(16)21-2/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyANBXWPYCPQBQAY-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
CID 63647224
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
CID 60922910
1-[3-[2-(2-bromo-4-methylphenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62460354
3-[2-(2-methylsulfanylphenoxy)ethoxy]benzenecarbothioamide
CID 63647649
N-methyl-1-[3-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethoxy]phenyl]methanamine
CID 106598180
N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
CID 141109153
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
2-[4-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]acetonitrile
CID 63647471
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine (CID 63649076) is N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine is CNCc1cccc(OCCOc2ccccc2SC)c1.
What is the InChIKey of N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is ANBXWPYCPQBQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-18-13-14-6-5-7-15(12-14)19-10-11-20-16-8-3-4-9-17(16)21-2/h3-9,12,18H,10-11,13H2,1-2H3.
What are the key properties of N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine?
N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine has a molecular weight of 303.43 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 63649076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).