N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine

C15H23NO2 — CID 43208422

IUPACN-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCCOc1ccc(CNC(C)C2CCCO2)cc1
InChIInChI=1S/C15H23NO2/c1-3-17-14-8-6-13(7-9-14)11-16-12(2)15-5-4-10-18-15/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyMIVFJKQZERTLAJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 43208422) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID43208422
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCCOc1ccc(CNC(C)C2CCCO2)cc1
InChIInChI=1S/C15H23NO2/c1-3-17-14-8-6-13(7-9-14)11-16-12(2)15-5-4-10-18-15/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyMIVFJKQZERTLAJ-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43435325
(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 81389655
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 75504160
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 106816198
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910
4-ethoxy-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 43067377
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208430

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine (CID 43208422) is N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine is CCOc1ccc(CNC(C)C2CCCO2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is MIVFJKQZERTLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-17-14-8-6-13(7-9-14)11-16-12(2)15-5-4-10-18-15/h6-9,12,15-16H,3-5,10-11H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 43208422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).