N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline

C18H23NOS — CID 60935431

IUPACN-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline
SMILESCCOc1ccccc1C(C)Nc1ccccc1SCC
InChIInChI=1S/C18H23NOS/c1-4-20-17-12-8-6-10-15(17)14(3)19-16-11-7-9-13-18(16)21-5-2/h6-14,19H,4-5H2,1-3H3
InChIKeyXSKIBFABTHQZKY-UHFFFAOYSA-N
MW301.46 g/mol
LogP5.37
Rot. Bonds7

About N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline

N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline (PubChem CID 60935431) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline
PubChem CID60935431
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline
SMILESCCOc1ccccc1C(C)Nc1ccccc1SCC
InChIInChI=1S/C18H23NOS/c1-4-20-17-12-8-6-10-15(17)14(3)19-16-11-7-9-13-18(16)21-5-2/h6-14,19H,4-5H2,1-3H3
InChIKeyXSKIBFABTHQZKY-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.46
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43194923
N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017
2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 81262643
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678
N-[1-(2-ethoxyphenyl)ethyl]quinolin-5-amine
CID 43823792
N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline
CID 43192292
4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
CID 43100277
2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365
N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43104673
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555338
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]-2-ethylsulfanylaniline?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline (CID 60935431) is N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline is CCOc1ccccc1C(C)Nc1ccccc1SCC.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline?
The InChIKey is XSKIBFABTHQZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-4-20-17-12-8-6-10-15(17)14(3)19-16-11-7-9-13-18(16)21-5-2/h6-14,19H,4-5H2,1-3H3.
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline?
N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline has a molecular weight of 301.46 g/mol, XLogP of 5.37, 7 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]-2-ethylsulfanylaniline is sourced from PubChem (CID 60935431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).