1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine

C15H23NS — CID 80584060

IUPAC1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
SMILESCCc1ccc(C(C)NCC2CCCS2)cc1
InChIInChI=1S/C15H23NS/c1-3-13-6-8-14(9-7-13)12(2)16-11-15-5-4-10-17-15/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyTUVLQBMSFODFKB-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine

1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine (PubChem CID 80584060) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
PubChem CID80584060
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
SMILESCCc1ccc(C(C)NCC2CCCS2)cc1
InChIInChI=1S/C15H23NS/c1-3-13-6-8-14(9-7-13)12(2)16-11-15-5-4-10-17-15/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyTUVLQBMSFODFKB-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 81343587
N-[1-(4-ethylphenyl)ethyl]-2-methylthian-3-amine
CID 79957461
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140
1-(4-methylsulfonylphenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80595105
1-(4-nitrophenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80596058
2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 64928037
1-(4-imidazol-1-ylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584180
1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80583918
1-(3-bromo-4-methoxyphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585229
1-(3,4-dimethoxyphenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80600657
1-(3-fluoro-4-methylphenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80600563
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
CID 43223749

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine (CID 80584060) is 1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine is CCc1ccc(C(C)NCC2CCCS2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine?
The InChIKey is TUVLQBMSFODFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-13-6-8-14(9-7-13)12(2)16-11-15-5-4-10-17-15/h6-9,12,15-16H,3-5,10-11H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine?
1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine has a molecular weight of 249.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 80584060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).