4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol

C14H21NO3 — CID 114266674

IUPAC4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol
SMILESCCNC(C)c1ccccc1OC1COCC1O
InChIInChI=1S/C14H21NO3/c1-3-15-10(2)11-6-4-5-7-13(11)18-14-9-17-8-12(14)16/h4-7,10,12,14-16H,3,8-9H2,1-2H3
InChIKeyMFWVGDJHNFIAFF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.50
Rot. Bonds5

About 4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol

4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol (PubChem CID 114266674) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol.

Molecular Properties

Compound Name4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol
PubChem CID114266674
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol
SMILESCCNC(C)c1ccccc1OC1COCC1O
InChIInChI=1S/C14H21NO3/c1-3-15-10(2)11-6-4-5-7-13(11)18-14-9-17-8-12(14)16/h4-7,10,12,14-16H,3,8-9H2,1-2H3
InChIKeyMFWVGDJHNFIAFF-UHFFFAOYSA-N
XLogP1.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 115669729
1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 64735115
(3S,4S)-4-(2-methylphenoxy)oxolan-3-ol
CID 155905989
1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 114341296
1-[2-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 60882508
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine
CID 43284836
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]cyclopentan-1-ol
CID 60889044
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
CID 102947682
2-[2-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117297539
N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine
CID 43285624

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol?
The IUPAC name of 4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol (CID 114266674) is 4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol.
What is the SMILES notation for 4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol?
The canonical SMILES for 4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol is CCNC(C)c1ccccc1OC1COCC1O.
What is the InChIKey of 4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol?
The InChIKey is MFWVGDJHNFIAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-15-10(2)11-6-4-5-7-13(11)18-14-9-17-8-12(14)16/h4-7,10,12,14-16H,3,8-9H2,1-2H3.
What are the key properties of 4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol?
4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol has a molecular weight of 251.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol is sourced from PubChem (CID 114266674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).