1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine

C11H15NOS — CID 117299512

IUPAC1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine
SMILESCOc1cccc(SC)c1C1(N)CC1
InChIInChI=1S/C11H15NOS/c1-13-8-4-3-5-9(14-2)10(8)11(12)6-7-11/h3-5H,6-7,12H2,1-2H3
InChIKeyIITMOLADVOGCQZ-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.36
Rot. Bonds3

About 1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine

1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine (PubChem CID 117299512) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine
PubChem CID117299512
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine
SMILESCOc1cccc(SC)c1C1(N)CC1
InChIInChI=1S/C11H15NOS/c1-13-8-4-3-5-9(14-2)10(8)11(12)6-7-11/h3-5H,6-7,12H2,1-2H3
InChIKeyIITMOLADVOGCQZ-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-6-methylsulfanylphenyl)cyclohexan-1-amine
CID 117382282
1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-ol
CID 117300712
2-(1-isocyanatocyclobutyl)-1-methoxy-3-methylsulfanylbenzene
CID 117376765
1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117324173
2-fluoro-1-methoxy-3-methylsulfanylbenzene
CID 91881055
1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117382290
1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine
CID 117451883
1-(2,6-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 116809940
1-(2,6-dimethoxy-3-methylphenyl)cyclopropan-1-amine
CID 84779676
1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine
CID 84798779
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine
CID 117327759
1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine
CID 117391217

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine (CID 117299512) is 1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine is COc1cccc(SC)c1C1(N)CC1.
What is the InChIKey of 1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine?
The InChIKey is IITMOLADVOGCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-13-8-4-3-5-9(14-2)10(8)11(12)6-7-11/h3-5H,6-7,12H2,1-2H3.
What are the key properties of 1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine?
1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 117299512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).