1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine

C13H19NOS — CID 117347796

IUPAC1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine
SMILESCOc1ccc(SC)cc1C1(C(C)N)CC1
InChIInChI=1S/C13H19NOS/c1-9(14)13(6-7-13)11-8-10(16-3)4-5-12(11)15-2/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeyAQRKSJBGLNDDLX-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.80
Rot. Bonds4

About 1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine

1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine (PubChem CID 117347796) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine
PubChem CID117347796
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine
SMILESCOc1ccc(SC)cc1C1(C(C)N)CC1
InChIInChI=1S/C13H19NOS/c1-9(14)13(6-7-13)11-8-10(16-3)4-5-12(11)15-2/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeyAQRKSJBGLNDDLX-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117402808
1-(2-methoxy-5-methylsulfanylphenyl)cyclopropane-1-carbaldehyde
CID 105479608
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 83702166
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117465009
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 117377084
2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline
CID 117341054
1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 117377087
1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine
CID 117355047

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine (CID 117347796) is 1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine is COc1ccc(SC)cc1C1(C(C)N)CC1.
What is the InChIKey of 1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine?
The InChIKey is AQRKSJBGLNDDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9(14)13(6-7-13)11-8-10(16-3)4-5-12(11)15-2/h4-5,8-9H,6-7,14H2,1-3H3.
What are the key properties of 1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine?
1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117347796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).