[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine

C12H17NOS — CID 117320792

IUPAC[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C2(CN)CC2)ccc1SC
InChIInChI=1S/C12H17NOS/c1-14-10-7-9(3-4-11(10)15-2)12(8-13)5-6-12/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyCUOPJVQTORHZGR-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.41
Rot. Bonds4

About [1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine

[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine (PubChem CID 117320792) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is [1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine
PubChem CID117320792
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C2(CN)CC2)ccc1SC
InChIInChI=1S/C12H17NOS/c1-14-10-7-9(3-4-11(10)15-2)12(8-13)5-6-12/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyCUOPJVQTORHZGR-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117418161
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
CID 82290284
[1-(3-bromo-4-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117461520
[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride
CID 2852629
[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298894
[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377424
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236
4-(1-isocyanatocyclopropyl)-2-methoxy-1-methylsulfanylbenzene
CID 117342569
2-[1-(4-methoxy-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117384277

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine (CID 117320792) is [1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine is COc1cc(C2(CN)CC2)ccc1SC.
What is the InChIKey of [1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine?
The InChIKey is CUOPJVQTORHZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-14-10-7-9(3-4-11(10)15-2)12(8-13)5-6-12/h3-4,7H,5-6,8,13H2,1-2H3.
What are the key properties of [1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine?
[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine has a molecular weight of 223.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117320792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).