1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride

C13H22ClNOS — CID 15915348

IUPAC1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride
SMILESCCc1cc(SC)c(CC(C)N)cc1OC.Cl
InChIInChI=1S/C13H21NOS.ClH/c1-5-10-8-13(16-4)11(6-9(2)14)7-12(10)15-3;/h7-9H,5-6,14H2,1-4H3;1H
InChIKeyVHXNKNACGFLGRH-UHFFFAOYSA-N
MW275.85 g/mol
LogP3.29
Rot. Bonds5

About 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride

1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride (PubChem CID 15915348) has the molecular formula C13H22ClNOS and a molecular weight of 275.85 g/mol. Its IUPAC name is 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride
PubChem CID15915348
Molecular FormulaC13H22ClNOS
Molecular Weight275.85 g/mol
Exact Mass275.11
IUPAC Name1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride
SMILESCCc1cc(SC)c(CC(C)N)cc1OC.Cl
InChIInChI=1S/C13H21NOS.ClH/c1-5-10-8-13(16-4)11(6-9(2)14)7-12(10)15-3;/h7-9H,5-6,14H2,1-4H3;1H
InChIKeyVHXNKNACGFLGRH-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.85
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
CID 15915366
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
(2S)-1-(4-ethylsulfonyl-2,5-dimethoxyphenyl)propan-2-amine
CID 101190835
3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
CID 117353833
4-ethyl-5-methoxy-2-methylsulfanylbenzonitrile
CID 117296522
1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine
CID 84798779
1-(2,5-dimethoxy-4-pentylsulfanylphenyl)propan-2-amine
CID 11461761
1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 170143488
[5-(2-aminopropyl)-4-methoxy-2-methylphenyl] methanesulfonate;hydrochloride
CID 86611659
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
CID 117353827
1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine
CID 69398597

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride (CID 15915348) is 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride is CCc1cc(SC)c(CC(C)N)cc1OC.Cl.
What is the InChIKey of 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride?
The InChIKey is VHXNKNACGFLGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS.ClH/c1-5-10-8-13(16-4)11(6-9(2)14)7-12(10)15-3;/h7-9H,5-6,14H2,1-4H3;1H.
What are the key properties of 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride?
1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride has a molecular weight of 275.85 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 15915348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).