N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine

C12H19NS — CID 82553373

IUPACN-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine
SMILESCCNCc1cc(C)ccc1SCC
InChIInChI=1S/C12H19NS/c1-4-13-9-11-8-10(3)6-7-12(11)14-5-2/h6-8,13H,4-5,9H2,1-3H3
InChIKeyAZRNENBZIRKKPK-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.22
Rot. Bonds5

About N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine

N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine (PubChem CID 82553373) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine
PubChem CID82553373
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine
SMILESCCNCc1cc(C)ccc1SCC
InChIInChI=1S/C12H19NS/c1-4-13-9-11-8-10(3)6-7-12(11)14-5-2/h6-8,13H,4-5,9H2,1-3H3
InChIKeyAZRNENBZIRKKPK-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanylacetate
CID 114055409
2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide
CID 114234766
N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine
CID 114055413
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine
CID 114055422
3-(2-ethylsulfanyl-5-methylphenyl)propan-1-amine
CID 82264952
N-[[2-[2-(dimethylamino)ethylsulfanyl]-5-methylphenyl]methyl]propan-1-amine
CID 114055442
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
3-[4-chloro-2-(ethylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 114865002
N-[(2-butyl-4-methylphenyl)methyl]ethanamine
CID 106659184
N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine
CID 82553412
N-[(2,4-dimethylphenyl)sulfanylmethyl]ethanamine
CID 117032846

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine (CID 82553373) is N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine is CCNCc1cc(C)ccc1SCC.
What is the InChIKey of N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine?
The InChIKey is AZRNENBZIRKKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-13-9-11-8-10(3)6-7-12(11)14-5-2/h6-8,13H,4-5,9H2,1-3H3.
What are the key properties of N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine?
N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 82553373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).