N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine

C17H27NOS — CID 107269688

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)NCC2(SC)CCC2)cc1
InChIInChI=1S/C17H27NOS/c1-4-12-19-16-8-6-15(7-9-16)14(2)18-13-17(20-3)10-5-11-17/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyIGAIULFRHCNVLC-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.41
Rot. Bonds8

About N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine

N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine (PubChem CID 107269688) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine
PubChem CID107269688
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)NCC2(SC)CCC2)cc1
InChIInChI=1S/C17H27NOS/c1-4-12-19-16-8-6-15(7-9-16)14(2)18-13-17(20-3)10-5-11-17/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyIGAIULFRHCNVLC-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine
CID 107266129
1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903167
2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine
CID 54912857
2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine
CID 102696755
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
CID 103460837
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine
CID 79861209
1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266974
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 107269797
5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
CID 103779924

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine (CID 107269688) is N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(C)NCC2(SC)CCC2)cc1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine?
The InChIKey is IGAIULFRHCNVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-4-12-19-16-8-6-15(7-9-16)14(2)18-13-17(20-3)10-5-11-17/h6-9,14,18H,4-5,10-13H2,1-3H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine?
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine has a molecular weight of 293.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 107269688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).