1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine

C13H19NOS — CID 84798779

IUPAC1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine
SMILESCCc1cc(SC)c(C2(N)CC2)cc1OC
InChIInChI=1S/C13H19NOS/c1-4-9-7-12(16-3)10(8-11(9)15-2)13(14)5-6-13/h7-8H,4-6,14H2,1-3H3
InChIKeyFVOROLGLMMUTKS-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.93
Rot. Bonds4

About 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine

1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine (PubChem CID 84798779) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine
PubChem CID84798779
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine
SMILESCCc1cc(SC)c(C2(N)CC2)cc1OC
InChIInChI=1S/C13H19NOS/c1-4-9-7-12(16-3)10(8-11(9)15-2)13(14)5-6-13/h7-8H,4-6,14H2,1-3H3
InChIKeyFVOROLGLMMUTKS-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
CID 82281442
1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride
CID 15915348
4-ethyl-5-methoxy-2-methylsulfanylbenzonitrile
CID 117296522
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
CID 15915366
1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine
CID 117299512
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117388014
1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine
CID 117444888
2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol
CID 105496630
1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 84798785
3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117415535
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115673856

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine (CID 84798779) is 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine is CCc1cc(SC)c(C2(N)CC2)cc1OC.
What is the InChIKey of 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine?
The InChIKey is FVOROLGLMMUTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-4-9-7-12(16-3)10(8-11(9)15-2)13(14)5-6-13/h7-8H,4-6,14H2,1-3H3.
What are the key properties of 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine?
1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84798779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).