2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine

C14H23NO2S — CID 103178650

IUPAC2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine
SMILESCOCCCOCCNCCSc1ccccc1
InChIInChI=1S/C14H23NO2S/c1-16-10-5-11-17-12-8-15-9-13-18-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyUNQXLDOECJLDTH-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.42
Rot. Bonds11

About 2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine

2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine (PubChem CID 103178650) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine
PubChem CID103178650
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine
SMILESCOCCCOCCNCCSc1ccccc1
InChIInChI=1S/C14H23NO2S/c1-16-10-5-11-17-12-8-15-9-13-18-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyUNQXLDOECJLDTH-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine 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

2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
CID 60721151
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
3-methylsulfanyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60669246
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 11708797
N-[2-(3-bromophenyl)sulfanylethyl]-3-methoxypropan-1-amine
CID 62803757
3-(methoxymethoxy)propylsulfanylbenzene
CID 11344888
2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide
CID 114162393
4-bromo-N-(2-phenylsulfanylethyl)butan-1-amine
CID 106844751
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
2-phenyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60664680
N'-(2-phenylsulfanylethyl)butane-1,4-diamine;dihydrochloride
CID 45261767
N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
CID 114333296

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine?
The IUPAC name of 2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine (CID 103178650) is 2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine?
The canonical SMILES for 2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine is COCCCOCCNCCSc1ccccc1.
What is the InChIKey of 2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine?
The InChIKey is UNQXLDOECJLDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-16-10-5-11-17-12-8-15-9-13-18-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3.
What are the key properties of 2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine?
2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.42, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine is sourced from PubChem (CID 103178650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).