2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine

C13H21NS — CID 91241461

IUPAC2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine
SMILESCCCSc1cc(C)c(CCN)cc1C
InChIInChI=1S/C13H21NS/c1-4-7-15-13-9-10(2)12(5-6-14)8-11(13)3/h8-9H,4-7,14H2,1-3H3
InChIKeyGJZNIIAXGHNUAI-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.31
Rot. Bonds5

About 2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine

2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine (PubChem CID 91241461) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine
PubChem CID91241461
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine
SMILESCCCSc1cc(C)c(CCN)cc1C
InChIInChI=1S/C13H21NS/c1-4-7-15-13-9-10(2)12(5-6-14)8-11(13)3/h8-9H,4-7,14H2,1-3H3
InChIKeyGJZNIIAXGHNUAI-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine (CID 91241461) is 2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine is CCCSc1cc(C)c(CCN)cc1C.
What is the InChIKey of 2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine?
The InChIKey is GJZNIIAXGHNUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-7-15-13-9-10(2)12(5-6-14)8-11(13)3/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine?
2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine has a molecular weight of 223.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-4-propylsulfanylphenyl)ethanamine is sourced from PubChem (CID 91241461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).