N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine

C15H23NO2 — CID 60873140

IUPACN-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCCOc1cccc(CNC(C)C2CCCO2)c1
InChIInChI=1S/C15H23NO2/c1-3-17-14-7-4-6-13(10-14)11-16-12(2)15-8-5-9-18-15/h4,6-7,10,12,15-16H,3,5,8-9,11H2,1-2H3
InChIKeyLAIIUNMUMULYKO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 60873140) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID60873140
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCCOc1cccc(CNC(C)C2CCCO2)c1
InChIInChI=1S/C15H23NO2/c1-3-17-14-7-4-6-13(10-14)11-16-12(2)15-8-5-9-18-15/h4,6-7,10,12,15-16H,3,5,8-9,11H2,1-2H3
InChIKeyLAIIUNMUMULYKO-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

Analyze N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208430
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43435325
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 60873726
N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 60873909
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62571805
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 106816198
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163939
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine (CID 60873140) is N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine is CCOc1cccc(CNC(C)C2CCCO2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is LAIIUNMUMULYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-17-14-7-4-6-13(10-14)11-16-12(2)15-8-5-9-18-15/h4,6-7,10,12,15-16H,3,5,8-9,11H2,1-2H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(3-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-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 60873140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).