N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine

C15H25NOS — CID 115899650

IUPACN-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine
SMILESCCSCCCNC(CC)c1ccc(OC)cc1
InChIInChI=1S/C15H25NOS/c1-4-15(16-11-6-12-18-5-2)13-7-9-14(17-3)10-8-13/h7-10,15-16H,4-6,11-12H2,1-3H3
InChIKeyZMPTYSPPIZXMID-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.88
Rot. Bonds9

About N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine

N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 115899650) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine
PubChem CID115899650
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine
SMILESCCSCCCNC(CC)c1ccc(OC)cc1
InChIInChI=1S/C15H25NOS/c1-4-15(16-11-6-12-18-5-2)13-7-9-14(17-3)10-8-13/h7-10,15-16H,4-6,11-12H2,1-3H3
InChIKeyZMPTYSPPIZXMID-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.88
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

3-ethylsulfanyl-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115900079
1-(4-chlorophenyl)-N-(3-ethylsulfanylpropyl)propan-1-amine
CID 113246417
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
CID 81342777
4-[1-(4-methoxyphenyl)propylamino]butanoic acid
CID 54920949
N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43207314
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211
N-[1-(4-methoxyphenyl)-2-(3-methylbutylsulfanyl)ethyl]propan-1-amine
CID 107764019
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 106041834

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine (CID 115899650) is N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine is CCSCCCNC(CC)c1ccc(OC)cc1.
What is the InChIKey of N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is ZMPTYSPPIZXMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-15(16-11-6-12-18-5-2)13-7-9-14(17-3)10-8-13/h7-10,15-16H,4-6,11-12H2,1-3H3.
What are the key properties of N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine?
N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 115899650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).