N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine

C16H25NO2 — CID 55040870

IUPACN-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(COC1CCC1)c1ccccc1OC
InChIInChI=1S/C16H25NO2/c1-3-11-17-15(12-19-13-7-6-8-13)14-9-4-5-10-16(14)18-2/h4-5,9-10,13,15,17H,3,6-8,11-12H2,1-2H3
InChIKeyHVDGCIWMWMSYCU-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds8

About N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine

N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 55040870) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
PubChem CID55040870
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(COC1CCC1)c1ccccc1OC
InChIInChI=1S/C16H25NO2/c1-3-11-17-15(12-19-13-7-6-8-13)14-9-4-5-10-16(14)18-2/h4-5,9-10,13,15,17H,3,6-8,11-12H2,1-2H3
InChIKeyHVDGCIWMWMSYCU-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclobutyloxy-1-naphthalen-1-ylethyl)propan-1-amine
CID 62116847
2-cyclobutyloxy-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 62114747
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792664
N-[1-(2-methoxyphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 62608474
N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 63475749
N-[2-cyclobutyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62381823
3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63473597
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine
CID 115995663
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine (CID 55040870) is N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine is CCCNC(COC1CCC1)c1ccccc1OC.
What is the InChIKey of N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is HVDGCIWMWMSYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-11-17-15(12-19-13-7-6-8-13)14-9-4-5-10-16(14)18-2/h4-5,9-10,13,15,17H,3,6-8,11-12H2,1-2H3.
What are the key properties of N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine?
N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 55040870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).