N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine

C14H23NO2S — CID 64658613

IUPACN-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine
SMILESCCNC(CS(=O)CCCOC)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-3-15-14(13-8-5-4-6-9-13)12-18(16)11-7-10-17-2/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyXJQXPNVYFANJFA-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.12
Rot. Bonds9

About N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine

N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine (PubChem CID 64658613) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine
PubChem CID64658613
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine
SMILESCCNC(CS(=O)CCCOC)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-3-15-14(13-8-5-4-6-9-13)12-18(16)11-7-10-17-2/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyXJQXPNVYFANJFA-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.12
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

N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine
CID 64652293
N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64652092
N-ethyl-1-(4-methylphenyl)-2-pentylsulfinylethanamine
CID 107758989
N-ethyl-1-(3-methoxypropylsulfinyl)pentan-2-amine
CID 64660381
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine
CID 64658277
N-[2-(2-methylsulfonylethylsulfinyl)-1-phenylethyl]propan-1-amine
CID 64676485
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfinyl)ethyl]propan-1-amine
CID 64652903
N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine
CID 64652051
N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82953260
N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652363

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine?
The IUPAC name of N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine (CID 64658613) is N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine is CCNC(CS(=O)CCCOC)c1ccccc1.
What is the InChIKey of N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine?
The InChIKey is XJQXPNVYFANJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-15-14(13-8-5-4-6-9-13)12-18(16)11-7-10-17-2/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine?
N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine is sourced from PubChem (CID 64658613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).