2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine

C15H23NO2S — CID 64657292

IUPAC2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CS(=O)CC2CCCC2)cc1
InChIInChI=1S/C15H23NO2S/c1-18-14-8-6-13(7-9-14)15(16)11-19(17)10-12-4-2-3-5-12/h6-9,12,15H,2-5,10-11,16H2,1H3
InChIKeyLZGPXIKLQUCZRX-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.63
Rot. Bonds6

About 2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine

2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 64657292) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine
PubChem CID64657292
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CS(=O)CC2CCCC2)cc1
InChIInChI=1S/C15H23NO2S/c1-18-14-8-6-13(7-9-14)15(16)11-19(17)10-12-4-2-3-5-12/h6-9,12,15H,2-5,10-11,16H2,1H3
InChIKeyLZGPXIKLQUCZRX-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 66323024
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 63504313
2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64675196
2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
CID 64652626
1-(4-methoxyphenyl)-2-(thian-4-yl)ethanamine
CID 105095213
2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine
CID 64654219
2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine
CID 64654768
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 82747780
3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834711

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine (CID 64657292) is 2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)CS(=O)CC2CCCC2)cc1.
What is the InChIKey of 2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is LZGPXIKLQUCZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-18-14-8-6-13(7-9-14)15(16)11-19(17)10-12-4-2-3-5-12/h6-9,12,15H,2-5,10-11,16H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine?
2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 281.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 64657292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).