1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol

C14H19F2NOS — CID 79587574

IUPAC1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCSc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NOS/c15-11-3-4-13(12(16)8-11)19-7-5-10-2-1-6-14(10,18)9-17/h3-4,8,10,18H,1-2,5-7,9,17H2
InChIKeyHRGOUABRPHSGKR-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.94
Rot. Bonds5

About 1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol (PubChem CID 79587574) has the molecular formula C14H19F2NOS and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol
PubChem CID79587574
Molecular FormulaC14H19F2NOS
Molecular Weight287.37 g/mol
Exact Mass287.12
IUPAC Name1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCSc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NOS/c15-11-3-4-13(12(16)8-11)19-7-5-10-2-1-6-14(10,18)9-17/h3-4,8,10,18H,1-2,5-7,9,17H2
InChIKeyHRGOUABRPHSGKR-UHFFFAOYSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentane-1-carboxylic acid
CID 79588132
1-(aminomethyl)-2-[2-(2,4-difluorophenoxy)ethyl]cyclopentan-1-ol
CID 79587266
1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol
CID 79587572
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
2-[2-(2,4-difluorophenyl)sulfanylethyl]-1,3-dioxane
CID 66475176
2-[2-(2,5-difluorophenyl)sulfanylethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79587585
1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol
CID 79587898
1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79587114
1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79578023
1-(aminomethyl)-2-[2-(2,4-dimethylphenoxy)ethyl]cyclopentan-1-ol
CID 79586548
1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79577380
1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol
CID 79587895

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol (CID 79587574) is 1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol is NCC1(O)CCCC1CCSc1ccc(F)cc1F.
What is the InChIKey of 1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol?
The InChIKey is HRGOUABRPHSGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c15-11-3-4-13(12(16)8-11)19-7-5-10-2-1-6-14(10,18)9-17/h3-4,8,10,18H,1-2,5-7,9,17H2.
What are the key properties of 1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol has a molecular weight of 287.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol is sourced from PubChem (CID 79587574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).