1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine

C13H19NS — CID 117317155

IUPAC1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine
SMILESCSc1cc(C2(C(C)N)CC2)ccc1C
InChIInChI=1S/C13H19NS/c1-9-4-5-11(8-12(9)15-3)13(6-7-13)10(2)14/h4-5,8,10H,6-7,14H2,1-3H3
InChIKeyXFPXKIBMGMBBLJ-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.10
Rot. Bonds3

About 1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine

1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine (PubChem CID 117317155) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine
PubChem CID117317155
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine
SMILESCSc1cc(C2(C(C)N)CC2)ccc1C
InChIInChI=1S/C13H19NS/c1-9-4-5-11(8-12(9)15-3)13(6-7-13)10(2)14/h4-5,8,10H,6-7,14H2,1-3H3
InChIKeyXFPXKIBMGMBBLJ-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Methylsulfanylphenyl)butan-2-amine
CID 43565977
1-(4-Methyl-2,5-bis(methylsulfanyl)phenyl)propan-2-amine
CID 15915353
2-(3-(Methylthio)phenyl)ethanamine
CID 10964901
1-[3-(Methylsulfanyl)phenyl]ethan-1-amine
CID 55282743
1-[2-(Methylsulfanyl)phenyl]propan-2-amine
CID 63819037
4-[3-Tert-butyl-5-(fluoromethylsulfanyl)phenyl]butan-1-amine
CID 70645578
[1-[2-(4-Fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine
CID 123680758
4-[3-Tert-butyl-5-methylsulfanyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 146212825
2-(2,5-Dimethyl-4-propylsulfanylphenyl)ethanamine
CID 91241461
Bis-tom hydrochloride
CID 15915354
1-(2,5-Dimethylphenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine
CID 61617194
1-(2,5-Dimethylphenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
CID 61618079

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine (CID 117317155) is 1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine is CSc1cc(C2(C(C)N)CC2)ccc1C.
What is the InChIKey of 1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine?
The InChIKey is XFPXKIBMGMBBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-9-4-5-11(8-12(9)15-3)13(6-7-13)10(2)14/h4-5,8,10H,6-7,14H2,1-3H3.
What are the key properties of 1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine?
1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine has a molecular weight of 221.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117317155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).