1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine

C13H19NOS — CID 84798785

IUPAC1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCOc1ccc(C2(N)CCCC2)c(SC)c1
InChIInChI=1S/C13H19NOS/c1-15-10-5-6-11(12(9-10)16-2)13(14)7-3-4-8-13/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyGXNDTKIPORBANV-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.15
Rot. Bonds3

About 1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine

1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine (PubChem CID 84798785) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
PubChem CID84798785
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCOc1ccc(C2(N)CCCC2)c(SC)c1
InChIInChI=1S/C13H19NOS/c1-15-10-5-6-11(12(9-10)16-2)13(14)7-3-4-8-13/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyGXNDTKIPORBANV-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
CID 117391231
1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine
CID 84790451
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65313238
1-(2,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086707
1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 117422276
1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine
CID 117432494
1-(2-methoxy-6-methylsulfanylphenyl)cyclohexan-1-amine
CID 117382282
5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol
CID 117347766
1-[3,4,5-tris(methylsulfanyl)phenyl]cyclopentan-1-amine
CID 117482555
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
(4-methoxy-2-methylsulfanylphenyl)hydrazine
CID 130935664

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine (CID 84798785) is 1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine is COc1ccc(C2(N)CCCC2)c(SC)c1.
What is the InChIKey of 1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine?
The InChIKey is GXNDTKIPORBANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-15-10-5-6-11(12(9-10)16-2)13(14)7-3-4-8-13/h5-6,9H,3-4,7-8,14H2,1-2H3.
What are the key properties of 1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine?
1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 84798785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).