2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine

C14H21NS — CID 105101180

IUPAC2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine
SMILESCc1ccc(C)c(CC(N)C2CCSC2)c1
InChIInChI=1S/C14H21NS/c1-10-3-4-11(2)13(7-10)8-14(15)12-5-6-16-9-12/h3-4,7,12,14H,5-6,8-9,15H2,1-2H3
InChIKeyMPSDPFMWFOXWOA-UHFFFAOYSA-N
MW235.40 g/mol
LogP2.93
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine

2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine (PubChem CID 105101180) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine
PubChem CID105101180
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine
SMILESCc1ccc(C)c(CC(N)C2CCSC2)c1
InChIInChI=1S/C14H21NS/c1-10-3-4-11(2)13(7-10)8-14(15)12-5-6-16-9-12/h3-4,7,12,14H,5-6,8-9,15H2,1-2H3
InChIKeyMPSDPFMWFOXWOA-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415387
2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65410217
3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine
CID 83154335
2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105117558
2-(2,5-dimethylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65405157
N-[(2,5-dimethylphenyl)methyl]thiolan-3-amine
CID 103701631
2-(2-bromophenyl)-1-(thiolan-3-yl)ethanamine
CID 105087716
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine
CID 105131271
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105133425
[1-cyclobutyl-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105224346
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine (CID 105101180) is 2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine is Cc1ccc(C)c(CC(N)C2CCSC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine?
The InChIKey is MPSDPFMWFOXWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-10-3-4-11(2)13(7-10)8-14(15)12-5-6-16-9-12/h3-4,7,12,14H,5-6,8-9,15H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine?
2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine has a molecular weight of 235.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105101180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).