N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine

C15H23NO2 — CID 115765654

IUPACN-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine
SMILESCCOc1cccc(CNC2(C)CCC2)c1OC
InChIInChI=1S/C15H23NO2/c1-4-18-13-8-5-7-12(14(13)17-3)11-16-15(2)9-6-10-15/h5,7-8,16H,4,6,9-11H2,1-3H3
InChIKeyFPWSALPOSJSPEL-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.13
Rot. Bonds6

About N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine

N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine (PubChem CID 115765654) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine
PubChem CID115765654
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine
SMILESCCOc1cccc(CNC2(C)CCC2)c1OC
InChIInChI=1S/C15H23NO2/c1-4-18-13-8-5-7-12(14(13)17-3)11-16-15(2)9-6-10-15/h5,7-8,16H,4,6,9-11H2,1-3H3
InChIKeyFPWSALPOSJSPEL-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 113238202
1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866382
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353060
N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
CID 115768698
N-[(2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 115635134
N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
CID 43773219
N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220481
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 55071667
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
CID 43220976
1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 62522809
3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848277
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine?
The IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine (CID 115765654) is N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine?
The canonical SMILES for N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine is CCOc1cccc(CNC2(C)CCC2)c1OC.
What is the InChIKey of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine?
The InChIKey is FPWSALPOSJSPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-18-13-8-5-7-12(14(13)17-3)11-16-15(2)9-6-10-15/h5,7-8,16H,4,6,9-11H2,1-3H3.
What are the key properties of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine?
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine is sourced from PubChem (CID 115765654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).