N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine

C16H25NO2 — CID 103132895

IUPACN-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCC2CCC(C)O2)cc1
InChIInChI=1S/C16H25NO2/c1-4-17-13(3)14-6-9-15(10-7-14)18-11-16-8-5-12(2)19-16/h6-7,9-10,12-13,16-17H,4-5,8,11H2,1-3H3
InChIKeyKDILMCLFZXPMNY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.30
Rot. Bonds6

About N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine

N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine (PubChem CID 103132895) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
PubChem CID103132895
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCC2CCC(C)O2)cc1
InChIInChI=1S/C16H25NO2/c1-4-17-13(3)14-6-9-15(10-7-14)18-11-16-8-5-12(2)19-16/h6-7,9-10,12-13,16-17H,4-5,8,11H2,1-3H3
InChIKeyKDILMCLFZXPMNY-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228
4-[1-[(5-methyloxolan-2-yl)methylamino]ethyl]benzonitrile
CID 82833990
N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
CID 103132805
(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836687
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749
1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989
1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 103156424
2-methyl-N-[[5-[(5-methyloxolan-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103133309
N-[1-[4-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethyl]propan-1-amine
CID 103140422
(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263
(1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135165
[5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
CID 107668362

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine (CID 103132895) is N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine is CCNC(C)c1ccc(OCC2CCC(C)O2)cc1.
What is the InChIKey of N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is KDILMCLFZXPMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-17-13(3)14-6-9-15(10-7-14)18-11-16-8-5-12(2)19-16/h6-7,9-10,12-13,16-17H,4-5,8,11H2,1-3H3.
What are the key properties of N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 103132895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).