N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine

C16H25NO2 — CID 62598642

IUPACN-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCCc1ccccc1OCCNC(C)C1CCCO1
InChIInChI=1S/C16H25NO2/c1-3-14-7-4-5-8-16(14)19-12-10-17-13(2)15-9-6-11-18-15/h4-5,7-8,13,15,17H,3,6,9-12H2,1-2H3
InChIKeyUZNLTXBYWDPBJC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds7

About N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine

N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 62598642) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID62598642
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCCc1ccccc1OCCNC(C)C1CCCO1
InChIInChI=1S/C16H25NO2/c1-3-14-7-4-5-8-16(14)19-12-10-17-13(2)15-9-6-11-18-15/h4-5,7-8,13,15,17H,3,6,9-12H2,1-2H3
InChIKeyUZNLTXBYWDPBJC-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-ethylphenoxy)ethyl]-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-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62598523
1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62571805
2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533761
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62486972
N-[2-(cyclopropylmethoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62599763
1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine
CID 62579205
2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533746
(Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine
CID 98474954
4-methoxy-N-[1-(oxolan-2-yl)ethyl]butan-1-amine
CID 104531009
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine (CID 62598642) is N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine is CCc1ccccc1OCCNC(C)C1CCCO1.
What is the InChIKey of N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is UZNLTXBYWDPBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-14-7-4-5-8-16(14)19-12-10-17-13(2)15-9-6-11-18-15/h4-5,7-8,13,15,17H,3,6,9-12H2,1-2H3.
What are the key properties of N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62598642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).