1-(2,5-dimethylphenyl)sulfanylethanamine

C10H15NS — CID 117032475

IUPAC1-(2,5-dimethylphenyl)sulfanylethanamine
SMILESCc1ccc(C)c(SC(C)N)c1
InChIInChI=1S/C10H15NS/c1-7-4-5-8(2)10(6-7)12-9(3)11/h4-6,9H,11H2,1-3H3
InChIKeyBFNDXTHLLYDLCS-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.70
Rot. Bonds2

About 1-(2,5-dimethylphenyl)sulfanylethanamine

1-(2,5-dimethylphenyl)sulfanylethanamine (PubChem CID 117032475) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfanylethanamine
PubChem CID117032475
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name1-(2,5-dimethylphenyl)sulfanylethanamine
SMILESCc1ccc(C)c(SC(C)N)c1
InChIInChI=1S/C10H15NS/c1-7-4-5-8(2)10(6-7)12-9(3)11/h4-6,9H,11H2,1-3H3
InChIKeyBFNDXTHLLYDLCS-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenyl)sulfanylpropanoic acid
CID 16785629
4-(2,5-dimethylphenyl)sulfanylbutan-2-amine
CID 64650590
2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine
CID 117035500
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
1-(3-methylphenyl)sulfanylethanamine
CID 117032496
2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine
CID 55017309
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64650586
S-(2,5-dimethylphenyl) carbamothioate
CID 117035966
N-(2,5-dimethylphenyl)sulfanylmethanamine
CID 117033774
2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine
CID 64649608
2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide
CID 18138315
1-[3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]ethanamine
CID 63532150

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfanylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfanylethanamine (CID 117032475) is 1-(2,5-dimethylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfanylethanamine is Cc1ccc(C)c(SC(C)N)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfanylethanamine?
The InChIKey is BFNDXTHLLYDLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-7-4-5-8(2)10(6-7)12-9(3)11/h4-6,9H,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfanylethanamine?
1-(2,5-dimethylphenyl)sulfanylethanamine has a molecular weight of 181.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfanylethanamine is sourced from PubChem (CID 117032475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).