N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine

C22H23NO2S — CID 141088572

IUPACN-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine
SMILESCOc1ccccc1Sc1ccccc1CNCCOc1ccccc1
InChIInChI=1S/C22H23NO2S/c1-24-20-12-6-8-14-22(20)26-21-13-7-5-9-18(21)17-23-15-16-25-19-10-3-2-4-11-19/h2-14,23H,15-17H2,1H3
InChIKeyXVWGLQBPARAXAK-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.01
Rot. Bonds9

About N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine

N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine (PubChem CID 141088572) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine
PubChem CID141088572
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC NameN-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine
SMILESCOc1ccccc1Sc1ccccc1CNCCOc1ccccc1
InChIInChI=1S/C22H23NO2S/c1-24-20-12-6-8-14-22(20)26-21-13-7-5-9-18(21)17-23-15-16-25-19-10-3-2-4-11-19/h2-14,23H,15-17H2,1H3
InChIKeyXVWGLQBPARAXAK-UHFFFAOYSA-N
XLogP5.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
CID 141088604
2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60690018
2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60688504
N-[(2-bromophenyl)methyl]-2-phenoxyethanamine
CID 60657804
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methyl]butan-1-amine
CID 54805198
2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline
CID 141088593
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine
CID 82097699
N-[(3-chloro-4-methoxyphenyl)methyl]-2-phenoxyethanamine
CID 65021766
2-methoxy-4-[(2-phenoxyethylamino)methyl]benzonitrile
CID 106787317
1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine
CID 3075829
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63805953

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine?
The IUPAC name of N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine (CID 141088572) is N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine.
What is the SMILES notation for N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine?
The canonical SMILES for N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine is COc1ccccc1Sc1ccccc1CNCCOc1ccccc1.
What is the InChIKey of N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine?
The InChIKey is XVWGLQBPARAXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-24-20-12-6-8-14-22(20)26-21-13-7-5-9-18(21)17-23-15-16-25-19-10-3-2-4-11-19/h2-14,23H,15-17H2,1H3.
What are the key properties of N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine?
N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine has a molecular weight of 365.50 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine is sourced from PubChem (CID 141088572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).