3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine

C15H22FNOS — CID 103702271

IUPAC3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCSC1CCC(NCc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C15H22FNOS/c1-3-19-13-6-5-12(9-13)17-10-11-4-7-15(18-2)14(16)8-11/h4,7-8,12-13,17H,3,5-6,9-10H2,1-2H3
InChIKeyNSKWRCXRWSLIII-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.60
Rot. Bonds6

About 3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine

3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine (PubChem CID 103702271) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
PubChem CID103702271
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCSC1CCC(NCc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C15H22FNOS/c1-3-19-13-6-5-12(9-13)17-10-11-4-7-15(18-2)14(16)8-11/h4,7-8,12-13,17H,3,5-6,9-10H2,1-2H3
InChIKeyNSKWRCXRWSLIII-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine with MolForge

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702377
5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol
CID 103702283
N-[(4-chloro-3-fluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113243621
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine
CID 103702398
N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702366
3-ethylsulfanyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopentan-1-amine
CID 103702421
2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 60612459
2-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-4-fluorophenol
CID 103948905
3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64506176
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine (CID 103702271) is 3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine is CCSC1CCC(NCc2ccc(OC)c(F)c2)C1.
What is the InChIKey of 3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine?
The InChIKey is NSKWRCXRWSLIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-3-19-13-6-5-12(9-13)17-10-11-4-7-15(18-2)14(16)8-11/h4,7-8,12-13,17H,3,5-6,9-10H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine?
3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 103702271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).