(1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine

C17H27NO3 — CID 125466518

IUPAC(1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine
SMILESCOCCCOc1cc(C[C@@H](N)C2CCC2)ccc1OC
InChIInChI=1S/C17H27NO3/c1-19-9-4-10-21-17-12-13(7-8-16(17)20-2)11-15(18)14-5-3-6-14/h7-8,12,14-15H,3-6,9-11,18H2,1-2H3/t15-/m1/s1
InChIKeyXKIJOSXYTRKNDO-OAHLLOKOSA-N
MW293.41 g/mol
LogP2.78
Rot. Bonds9

About (1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine

(1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine (PubChem CID 125466518) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine
PubChem CID125466518
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine
SMILESCOCCCOc1cc(C[C@@H](N)C2CCC2)ccc1OC
InChIInChI=1S/C17H27NO3/c1-19-9-4-10-21-17-12-13(7-8-16(17)20-2)11-15(18)14-5-3-6-14/h7-8,12,14-15H,3-6,9-11,18H2,1-2H3/t15-/m1/s1
InChIKeyXKIJOSXYTRKNDO-OAHLLOKOSA-N
XLogP2.78
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine
CID 118279248
ethane;methyl 3-amino-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]butanoate
CID 145356356
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 64739847
4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene
CID 11325823
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61078294
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine
CID 135313299
[1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3,3-dimethylbutan-2-yl]urea
CID 123390795

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine (CID 125466518) is (1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine is COCCCOc1cc(C[C@@H](N)C2CCC2)ccc1OC.
What is the InChIKey of (1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine?
The InChIKey is XKIJOSXYTRKNDO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27NO3/c1-19-9-4-10-21-17-12-13(7-8-16(17)20-2)11-15(18)14-5-3-6-14/h7-8,12,14-15H,3-6,9-11,18H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine?
(1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine is sourced from PubChem (CID 125466518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).