N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine

C15H25NO2S — CID 64625668

IUPACN-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
SMILESCCNC(CSCCCOC)c1cccc(OC)c1
InChIInChI=1S/C15H25NO2S/c1-4-16-15(12-19-10-6-9-17-2)13-7-5-8-14(11-13)18-3/h5,7-8,11,15-16H,4,6,9-10,12H2,1-3H3
InChIKeyFWAXYHIDXNFZFD-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.12
Rot. Bonds10

About N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine

N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine (PubChem CID 64625668) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
PubChem CID64625668
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
SMILESCCNC(CSCCCOC)c1cccc(OC)c1
InChIInChI=1S/C15H25NO2S/c1-4-16-15(12-19-10-6-9-17-2)13-7-5-8-14(11-13)18-3/h5,7-8,11,15-16H,4,6,9-10,12H2,1-3H3
InChIKeyFWAXYHIDXNFZFD-UHFFFAOYSA-N
XLogP3.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.12
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

N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine
CID 64626467
1-(1,3-benzodioxol-5-yl)-N-ethyl-2-(3-methoxypropylsulfanyl)ethanamine
CID 64628475
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763373
N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650219
2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 64620365
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine
CID 64626660
N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine
CID 116544428
2-butylsulfanyl-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 64609867
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 106927965
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
1-(2,4-dimethoxyphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107763149
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine (CID 64625668) is N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine is CCNC(CSCCCOC)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine?
The InChIKey is FWAXYHIDXNFZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-16-15(12-19-10-6-9-17-2)13-7-5-8-14(11-13)18-3/h5,7-8,11,15-16H,4,6,9-10,12H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine?
N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine has a molecular weight of 283.44 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine is sourced from PubChem (CID 64625668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).