N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine

C16H23NOS — CID 103274069

IUPACN-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESCSc1ccc(OC2(CCNC3CC3)CCC2)cc1
InChIInChI=1S/C16H23NOS/c1-19-15-7-5-14(6-8-15)18-16(9-2-10-16)11-12-17-13-3-4-13/h5-8,13,17H,2-4,9-12H2,1H3
InChIKeyYUROTLFEEJYYJF-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.85
Rot. Bonds7

About N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine

N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine (PubChem CID 103274069) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine
PubChem CID103274069
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESCSc1ccc(OC2(CCNC3CC3)CCC2)cc1
InChIInChI=1S/C16H23NOS/c1-19-15-7-5-14(6-8-15)18-16(9-2-10-16)11-12-17-13-3-4-13/h5-8,13,17H,2-4,9-12H2,1H3
InChIKeyYUROTLFEEJYYJF-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine
CID 103274071
N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103274070
N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274011
N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274410
N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273516
N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273919
N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
CID 63648269
N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273773
N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274216
N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
CID 96661182
N-[2-(1-cyclopentyloxycyclobutyl)ethyl]cyclopropanamine
CID 103273019
N-[2-[1-[2-(dimethylamino)ethoxy]cyclobutyl]ethyl]cyclopropanamine
CID 103273656

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine (CID 103274069) is N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine is CSc1ccc(OC2(CCNC3CC3)CCC2)cc1.
What is the InChIKey of N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The InChIKey is YUROTLFEEJYYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-19-15-7-5-14(6-8-15)18-16(9-2-10-16)11-12-17-13-3-4-13/h5-8,13,17H,2-4,9-12H2,1H3.
What are the key properties of N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine has a molecular weight of 277.43 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine is sourced from PubChem (CID 103274069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).