2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine

C15H23NO2 — CID 170888240

IUPAC2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine
SMILESCCOc1ccc(COCC2CC2)cc1CCN
InChIInChI=1S/C15H23NO2/c1-2-18-15-6-5-13(9-14(15)7-8-16)11-17-10-12-3-4-12/h5-6,9,12H,2-4,7-8,10-11,16H2,1H3
InChIKeyYBBHXDLBBWIEPH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.51
Rot. Bonds8

About 2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine

2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine (PubChem CID 170888240) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine
PubChem CID170888240
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine
SMILESCCOc1ccc(COCC2CC2)cc1CCN
InChIInChI=1S/C15H23NO2/c1-2-18-15-6-5-13(9-14(15)7-8-16)11-17-10-12-3-4-12/h5-6,9,12H,2-4,7-8,10-11,16H2,1H3
InChIKeyYBBHXDLBBWIEPH-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 60906211
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
CID 170894127
[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol
CID 62017661
[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
CID 43122482
3-(2-aminoethyl)-4-ethoxybenzoic acid
CID 82052276
2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine
CID 170888196
1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride
CID 170890274
4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline
CID 43260061
2-chloro-5-(cyclopropylmethoxymethyl)aniline
CID 43349982
2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64773825
2-(2-ethoxy-4,5-difluorophenyl)ethanamine
CID 83880849

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine?
The IUPAC name of 2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine (CID 170888240) is 2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine.
What is the SMILES notation for 2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine?
The canonical SMILES for 2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine is CCOc1ccc(COCC2CC2)cc1CCN.
What is the InChIKey of 2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine?
The InChIKey is YBBHXDLBBWIEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-18-15-6-5-13(9-14(15)7-8-16)11-17-10-12-3-4-12/h5-6,9,12H,2-4,7-8,10-11,16H2,1H3.
What are the key properties of 2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine?
2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine is sourced from PubChem (CID 170888240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).