N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine

C15H25NO2 — CID 54852974

IUPACN-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C15H25NO2/c1-6-15(3,4)16-11-12(2)18-14-10-8-7-9-13(14)17-5/h7-10,12,16H,6,11H2,1-5H3
InChIKeyIJTGKZPUPSLLRZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.24
Rot. Bonds7

About N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine

N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine (PubChem CID 54852974) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine
PubChem CID54852974
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C15H25NO2/c1-6-15(3,4)16-11-12(2)18-14-10-8-7-9-13(14)17-5/h7-10,12,16H,6,11H2,1-5H3
InChIKeyIJTGKZPUPSLLRZ-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine
CID 62572112
N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine
CID 62597428
N-[2-(2-methoxyphenoxy)propyl]pentan-1-amine
CID 62572608
2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
CID 55195324
N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine
CID 133410527
2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline
CID 54801774
1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111502959
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 75494544
2-methyl-N-(2-phenylpropyl)butan-2-amine
CID 17207092
3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid
CID 122004183
5-bromo-N-[2-(2-methoxyphenoxy)propyl]pyridin-2-amine
CID 133324265
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine
CID 109417394

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine (CID 54852974) is N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine is CCC(C)(C)NCC(C)Oc1ccccc1OC.
What is the InChIKey of N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine?
The InChIKey is IJTGKZPUPSLLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-15(3,4)16-11-12(2)18-14-10-8-7-9-13(14)17-5/h7-10,12,16H,6,11H2,1-5H3.
What are the key properties of N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine?
N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine is sourced from PubChem (CID 54852974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).