N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine

C15H25NO2 — CID 55073189

IUPACN-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine
SMILESCCOc1cccc(OC(C)CNCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-5-17-14-7-6-8-15(9-14)18-13(4)11-16-10-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyIIQXNVRKVKHKSX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.10
Rot. Bonds8

About N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine

N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine (PubChem CID 55073189) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine
PubChem CID55073189
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine
SMILESCCOc1cccc(OC(C)CNCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-5-17-14-7-6-8-15(9-14)18-13(4)11-16-10-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyIIQXNVRKVKHKSX-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62441022
2-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 62440452
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 46736308
N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
CID 63515567
3-(3-ethoxyphenoxy)butan-1-amine
CID 112507822
2-(3-ethoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62442572
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine
CID 115655619
1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 62338062
2-(3-ethoxyphenoxy)-3-methylbutanehydrazide
CID 63569478

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine (CID 55073189) is N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine is CCOc1cccc(OC(C)CNCC(C)C)c1.
What is the InChIKey of N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine?
The InChIKey is IIQXNVRKVKHKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-17-14-7-6-8-15(9-14)18-13(4)11-16-10-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3.
What are the key properties of N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine?
N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55073189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).