2-[2-(thiolan-3-yl)phenyl]ethanamine

C12H17NS — CID 84779898

IUPAC2-[2-(thiolan-3-yl)phenyl]ethanamine
SMILESNCCc1ccccc1C1CCSC1
InChIInChI=1S/C12H17NS/c13-7-5-10-3-1-2-4-12(10)11-6-8-14-9-11/h1-4,11H,5-9,13H2
InChIKeyGZVCZQCQEHKKID-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.41
Rot. Bonds3

About 2-[2-(thiolan-3-yl)phenyl]ethanamine

2-[2-(thiolan-3-yl)phenyl]ethanamine (PubChem CID 84779898) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-[2-(thiolan-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(thiolan-3-yl)phenyl]ethanamine
PubChem CID84779898
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name2-[2-(thiolan-3-yl)phenyl]ethanamine
SMILESNCCc1ccccc1C1CCSC1
InChIInChI=1S/C12H17NS/c13-7-5-10-3-1-2-4-12(10)11-6-8-14-9-11/h1-4,11H,5-9,13H2
InChIKeyGZVCZQCQEHKKID-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(thian-4-yl)phenyl]propan-1-amine
CID 117343756
2-(2-cycloheptylphenyl)ethanamine
CID 83836329
2-[4-(thiolan-3-yl)phenyl]ethanamine
CID 84779900
N-methyl-2-[2-(thian-4-yl)phenyl]ethanamine
CID 115006069
2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine
CID 117403099
10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene
CID 59518921
N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine
CID 103739395
3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine
CID 117335183
4-[2-(oxan-4-yl)phenyl]butan-1-amine
CID 117339355
2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride
CID 84714554
2-(3-cyclobutyl-2-methylphenyl)ethanamine
CID 142992791
2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine
CID 117204133

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiolan-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-(thiolan-3-yl)phenyl]ethanamine (CID 84779898) is 2-[2-(thiolan-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(thiolan-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(thiolan-3-yl)phenyl]ethanamine is NCCc1ccccc1C1CCSC1.
What is the InChIKey of 2-[2-(thiolan-3-yl)phenyl]ethanamine?
The InChIKey is GZVCZQCQEHKKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c13-7-5-10-3-1-2-4-12(10)11-6-8-14-9-11/h1-4,11H,5-9,13H2.
What are the key properties of 2-[2-(thiolan-3-yl)phenyl]ethanamine?
2-[2-(thiolan-3-yl)phenyl]ethanamine has a molecular weight of 207.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiolan-3-yl)phenyl]ethanamine is sourced from PubChem (CID 84779898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).