N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine

C14H23NOS — CID 23621598

IUPACN,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine
SMILESCCN(CC)CCSCc1ccccc1OC
InChIInChI=1S/C14H23NOS/c1-4-15(5-2)10-11-17-12-13-8-6-7-9-14(13)16-3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyWNOIIWVIFPLWAE-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.27
Rot. Bonds8

About N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine

N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine (PubChem CID 23621598) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine
PubChem CID23621598
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine
SMILESCCN(CC)CCSCc1ccccc1OC
InChIInChI=1S/C14H23NOS/c1-4-15(5-2)10-11-17-12-13-8-6-7-9-14(13)16-3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyWNOIIWVIFPLWAE-UHFFFAOYSA-N
XLogP3.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
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-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide
CID 115465755
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CID 79087707
1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene
CID 175444939
6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17409436
1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108899894
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
CID 102999106
2-[(2-methoxyphenyl)methylsulfanyl]-N,N'-dimethylpropane-1,3-diamine
CID 67729660
N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
CID 91088877
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(2-methoxyphenyl)methylsulfanyl]propanamide
CID 75512143
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine?
The IUPAC name of N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine (CID 23621598) is N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine is CCN(CC)CCSCc1ccccc1OC.
What is the InChIKey of N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine?
The InChIKey is WNOIIWVIFPLWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-15(5-2)10-11-17-12-13-8-6-7-9-14(13)16-3/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine?
N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine is sourced from PubChem (CID 23621598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).