N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine

C13H21NS — CID 115769723

IUPACN-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine
SMILESCCSc1ccc(C(C)NC(C)C)cc1
InChIInChI=1S/C13H21NS/c1-5-15-13-8-6-12(7-9-13)11(4)14-10(2)3/h6-11,14H,5H2,1-4H3
InChIKeyACVFXCHLZFPDRI-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.86
Rot. Bonds5

About N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine

N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine (PubChem CID 115769723) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine
PubChem CID115769723
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine
SMILESCCSc1ccc(C(C)NC(C)C)cc1
InChIInChI=1S/C13H21NS/c1-5-15-13-8-6-12(7-9-13)11(4)14-10(2)3/h6-11,14H,5H2,1-4H3
InChIKeyACVFXCHLZFPDRI-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 112514141
N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine
CID 115769694
N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine
CID 75495441
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)ethanol
CID 112514138
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide
CID 119318049
1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine
CID 113247045
1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol
CID 116859470
1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 119114919
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene
CID 166847942

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine (CID 115769723) is N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine is CCSc1ccc(C(C)NC(C)C)cc1.
What is the InChIKey of N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine?
The InChIKey is ACVFXCHLZFPDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-5-15-13-8-6-12(7-9-13)11(4)14-10(2)3/h6-11,14H,5H2,1-4H3.
What are the key properties of N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine?
N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine has a molecular weight of 223.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 115769723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).