2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine

C18H23NOS — CID 64613259

IUPAC2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine
SMILESCNC(c1ccccc1)C(SCCOC)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-19-17(15-9-5-3-6-10-15)18(21-14-13-20-2)16-11-7-4-8-12-16/h3-12,17-19H,13-14H2,1-2H3
InChIKeyUTDIOEOEGZQMRQ-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.07
Rot. Bonds8

About 2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine

2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine (PubChem CID 64613259) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine
PubChem CID64613259
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine
SMILESCNC(c1ccccc1)C(SCCOC)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-19-17(15-9-5-3-6-10-15)18(21-14-13-20-2)16-11-7-4-8-12-16/h3-12,17-19H,13-14H2,1-2H3
InChIKeyUTDIOEOEGZQMRQ-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol
CID 64614405
2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine
CID 64614505
N-[(1R,2R)-2-(3-methylbutylsulfanyl)-1,2-diphenylethyl]aniline
CID 102472586
2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine
CID 103177181
N-[2-(2-methoxyethylsulfanyl)propyl]aniline
CID 62577596
(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 93043964
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 64626669
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide
CID 64537302
N-methyl-2-(2-methylsulfonylethylsulfanyl)-1-phenylpropan-1-amine
CID 64610461
6-methoxy-N,4-dimethyl-2-phenylhexan-3-amine
CID 114029143
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
CID 12709498

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine (CID 64613259) is 2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine is CNC(c1ccccc1)C(SCCOC)c1ccccc1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine?
The InChIKey is UTDIOEOEGZQMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-19-17(15-9-5-3-6-10-15)18(21-14-13-20-2)16-11-7-4-8-12-16/h3-12,17-19H,13-14H2,1-2H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine?
2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine has a molecular weight of 301.45 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine is sourced from PubChem (CID 64613259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).