1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine

C12H17NS — CID 83702166

IUPAC1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine
SMILESCSc1ccc(C2(C(C)N)CC2)cc1
InChIInChI=1S/C12H17NS/c1-9(13)12(7-8-12)10-3-5-11(14-2)6-4-10/h3-6,9H,7-8,13H2,1-2H3
InChIKeyWPJVNQBZSNEUAR-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.79
Rot. Bonds3

About 1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine

1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine (PubChem CID 83702166) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine
PubChem CID83702166
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine
SMILESCSc1ccc(C2(C(C)N)CC2)cc1
InChIInChI=1S/C12H17NS/c1-9(13)12(7-8-12)10-3-5-11(14-2)6-4-10/h3-6,9H,7-8,13H2,1-2H3
InChIKeyWPJVNQBZSNEUAR-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117347796
1-[1-(4-chlorophenyl)cyclopentyl]ethanamine
CID 83691849
1-[1-(4-iodophenyl)cyclopentyl]ethanamine
CID 117047031
1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine
CID 117296645
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571
1-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 75466877
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
CID 117046693
5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline
CID 117118391
1-[1-(4-cyclopropylphenyl)cyclopentyl]ethanamine
CID 117047052
1-[1-[3-chloro-4,5-bis(methylsulfanyl)phenyl]cyclopropyl]ethanamine
CID 117464541
1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine
CID 117312921

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine (CID 83702166) is 1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine is CSc1ccc(C2(C(C)N)CC2)cc1.
What is the InChIKey of 1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine?
The InChIKey is WPJVNQBZSNEUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-9(13)12(7-8-12)10-3-5-11(14-2)6-4-10/h3-6,9H,7-8,13H2,1-2H3.
What are the key properties of 1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine?
1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine has a molecular weight of 207.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 83702166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).