2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine

C18H23NOS — CID 64621974

IUPAC2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
SMILESCCNC(CSCc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NOS/c1-3-19-18(16-9-11-17(20-2)12-10-16)14-21-13-15-7-5-4-6-8-15/h4-12,18-19H,3,13-14H2,1-2H3
InChIKeyJSCSWBANKZVNEX-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.28
Rot. Bonds8

About 2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine

2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine (PubChem CID 64621974) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
PubChem CID64621974
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
SMILESCCNC(CSCc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NOS/c1-3-19-18(16-9-11-17(20-2)12-10-16)14-21-13-15-7-5-4-6-8-15/h4-12,18-19H,3,13-14H2,1-2H3
InChIKeyJSCSWBANKZVNEX-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 64626083
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60798862
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol
CID 66138225
N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
CID 64614907
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 103290948
[1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105190728
N-ethyl-1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64622182
N-ethyl-3-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 60996666
(2R)-3-benzylsulfanyl-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 66559484
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine (CID 64621974) is 2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine is CCNC(CSCc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine?
The InChIKey is JSCSWBANKZVNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-3-19-18(16-9-11-17(20-2)12-10-16)14-21-13-15-7-5-4-6-8-15/h4-12,18-19H,3,13-14H2,1-2H3.
What are the key properties of 2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine?
2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine has a molecular weight of 301.46 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 64621974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).