N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline

C16H19NOS — CID 60871982

IUPACN-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline
SMILESCCOc1cccc(CNc2ccccc2SC)c1
InChIInChI=1S/C16H19NOS/c1-3-18-14-8-6-7-13(11-14)12-17-15-9-4-5-10-16(15)19-2/h4-11,17H,3,12H2,1-2H3
InChIKeyOWJMNCVJWSHXMU-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.42
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline

N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline (PubChem CID 60871982) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline
PubChem CID60871982
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline
SMILESCCOc1cccc(CNc2ccccc2SC)c1
InChIInChI=1S/C16H19NOS/c1-3-18-14-8-6-7-13(11-14)12-17-15-9-4-5-10-16(15)19-2/h4-11,17H,3,12H2,1-2H3
InChIKeyOWJMNCVJWSHXMU-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 60874269
2-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 60874267
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline
CID 60873888
2-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360348
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39368420
N-[(3-butoxyphenyl)methyl]-2-methylaniline
CID 39369088
2-butoxy-N-[(3-butoxyphenyl)methyl]aniline
CID 54801697
N-ethoxy-1-(3-ethoxyphenyl)methanamine
CID 82709882
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline (CID 60871982) is N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline is CCOc1cccc(CNc2ccccc2SC)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline?
The InChIKey is OWJMNCVJWSHXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-3-18-14-8-6-7-13(11-14)12-17-15-9-4-5-10-16(15)19-2/h4-11,17H,3,12H2,1-2H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline?
N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline has a molecular weight of 273.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline is sourced from PubChem (CID 60871982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).