N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine

C16H25NOS — CID 103274063

IUPACN-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCSc1ccccc1OC1(CCNC(C)C)CCC1
InChIInChI=1S/C16H25NOS/c1-13(2)17-12-11-16(9-6-10-16)18-14-7-4-5-8-15(14)19-3/h4-5,7-8,13,17H,6,9-12H2,1-3H3
InChIKeyLZPSFMLCDQTWMP-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.10
Rot. Bonds7

About N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine

N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine (PubChem CID 103274063) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine
PubChem CID103274063
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCSc1ccccc1OC1(CCNC(C)C)CCC1
InChIInChI=1S/C16H25NOS/c1-13(2)17-12-11-16(9-6-10-16)18-14-7-4-5-8-15(14)19-3/h4-5,7-8,13,17H,6,9-12H2,1-3H3
InChIKeyLZPSFMLCDQTWMP-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine
CID 103272985
N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103274070
N-[2-[1-(4-fluoro-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103274345
N-[2-[1-[(2-methyl-3-pyridinyl)oxy]cyclobutyl]ethyl]propan-2-amine
CID 103274268
2-[1-(2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103273573
N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 107285808
2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273871
N-[2-(1-quinolin-3-yloxycyclobutyl)ethyl]propan-2-amine
CID 107387842
N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273773
N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273827
2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine
CID 103273382
N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine
CID 103274071

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine (CID 103274063) is N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine is CSc1ccccc1OC1(CCNC(C)C)CCC1.
What is the InChIKey of N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine?
The InChIKey is LZPSFMLCDQTWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-13(2)17-12-11-16(9-6-10-16)18-14-7-4-5-8-15(14)19-3/h4-5,7-8,13,17H,6,9-12H2,1-3H3.
What are the key properties of N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine?
N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine has a molecular weight of 279.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine is sourced from PubChem (CID 103274063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).