3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine

C18H25NOS2 — CID 19865603

IUPAC3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine
SMILESCCOc1ccccc1SC(CCNC)c1cscc1CC
InChIInChI=1S/C18H25NOS2/c1-4-14-12-21-13-15(14)17(10-11-19-3)22-18-9-7-6-8-16(18)20-5-2/h6-9,12-13,17,19H,4-5,10-11H2,1-3H3
InChIKeySIZPYZXQDXCNLX-UHFFFAOYSA-N
MW335.54 g/mol
LogP5.15
Rot. Bonds9

About 3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine

3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine (PubChem CID 19865603) has the molecular formula C18H25NOS2 and a molecular weight of 335.54 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine
PubChem CID19865603
Molecular FormulaC18H25NOS2
Molecular Weight335.54 g/mol
Exact Mass335.14
IUPAC Name3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine
SMILESCCOc1ccccc1SC(CCNC)c1cscc1CC
InChIInChI=1S/C18H25NOS2/c1-4-14-12-21-13-15(14)17(10-11-19-3)22-18-9-7-6-8-16(18)20-5-2/h6-9,12-13,17,19H,4-5,10-11H2,1-3H3
InChIKeySIZPYZXQDXCNLX-UHFFFAOYSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylphenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;propanedioic acid
CID 157183023
1-(2-ethoxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171890149
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
1-(2-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43173825
3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 159931174
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
4-(2-ethoxyphenyl)sulfanylaniline
CID 70586247
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119772890
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
(2-ethoxyphenyl)-(2-ethylphenyl)methanol
CID 63900742

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine (CID 19865603) is 3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine is CCOc1ccccc1SC(CCNC)c1cscc1CC.
What is the InChIKey of 3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine?
The InChIKey is SIZPYZXQDXCNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS2/c1-4-14-12-21-13-15(14)17(10-11-19-3)22-18-9-7-6-8-16(18)20-5-2/h6-9,12-13,17,19H,4-5,10-11H2,1-3H3.
What are the key properties of 3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine?
3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine has a molecular weight of 335.54 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)sulfanyl-3-(4-ethylthiophen-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 19865603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).