N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline

C17H21NOS — CID 43192292

IUPACN-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline
SMILESCCOc1ccccc1C(C)Nc1ccc(SC)cc1
InChIInChI=1S/C17H21NOS/c1-4-19-17-8-6-5-7-16(17)13(2)18-14-9-11-15(20-3)12-10-14/h5-13,18H,4H2,1-3H3
InChIKeyOKXZOZQQZNCLRV-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.98
Rot. Bonds6

About N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline

N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline (PubChem CID 43192292) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline
PubChem CID43192292
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline
SMILESCCOc1ccccc1C(C)Nc1ccc(SC)cc1
InChIInChI=1S/C17H21NOS/c1-4-19-17-8-6-5-7-16(17)13(2)18-14-9-11-15(20-3)12-10-14/h5-13,18H,4H2,1-3H3
InChIKeyOKXZOZQQZNCLRV-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017
4-[1-(2-ethoxyphenyl)ethylamino]benzamide
CID 43193018
N-[1-(2-ethoxyphenyl)ethyl]-4-nitroaniline
CID 43719782
N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43104673
N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43194923
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
CID 107620944
N-[1-(2-ethoxyphenyl)ethyl]-1,3-benzodioxol-5-amine
CID 43196995
N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline
CID 60935431
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 24581463
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678
2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43126451

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline (CID 43192292) is N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline is CCOc1ccccc1C(C)Nc1ccc(SC)cc1.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline?
The InChIKey is OKXZOZQQZNCLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-4-19-17-8-6-5-7-16(17)13(2)18-14-9-11-15(20-3)12-10-14/h5-13,18H,4H2,1-3H3.
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline?
N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline has a molecular weight of 287.43 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline is sourced from PubChem (CID 43192292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).