1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine

C15H23NOS — CID 107266974

IUPAC1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
SMILESCCOc1ccc(CNCC2(SC)CCC2)cc1
InChIInChI=1S/C15H23NOS/c1-3-17-14-7-5-13(6-8-14)11-16-12-15(18-2)9-4-10-15/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyYCBWSRXEZPOMLH-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.46
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine

1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine (PubChem CID 107266974) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
PubChem CID107266974
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
SMILESCCOc1ccc(CNCC2(SC)CCC2)cc1
InChIInChI=1S/C15H23NOS/c1-3-17-14-7-5-13(6-8-14)11-16-12-15(18-2)9-4-10-15/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyYCBWSRXEZPOMLH-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115868
1-[4-(methoxymethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107267089
1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822889
1-(3-ethoxy-4-methoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107267051
N-[(1-methylsulfanylcyclopropyl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 107267440
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 107267189
N-(bromomethyl)-1-(4-ethoxyphenyl)methanamine
CID 115261867
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267622
N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine
CID 107267578
1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266984
4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile
CID 114116374

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine (CID 107266974) is 1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine is CCOc1ccc(CNCC2(SC)CCC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The InChIKey is YCBWSRXEZPOMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-17-14-7-5-13(6-8-14)11-16-12-15(18-2)9-4-10-15/h5-8,16H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine has a molecular weight of 265.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 107266974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).