N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine

C17H27NO2 — CID 65158607

IUPACN-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(C)cc1OCCC1CCCO1
InChIInChI=1S/C17H27NO2/c1-4-18-14(3)16-8-7-13(2)12-17(16)20-11-9-15-6-5-10-19-15/h7-8,12,14-15,18H,4-6,9-11H2,1-3H3
InChIKeySWWJHWRONTVLCL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.61
Rot. Bonds7

About N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine

N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine (PubChem CID 65158607) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
PubChem CID65158607
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(C)cc1OCCC1CCCO1
InChIInChI=1S/C17H27NO2/c1-4-18-14(3)16-8-7-13(2)12-17(16)20-11-9-15-6-5-10-19-15/h7-8,12,14-15,18H,4-6,9-11H2,1-3H3
InChIKeySWWJHWRONTVLCL-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine
CID 65158936
1-[4-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 65158556
N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158505
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004695
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158929
1-[2-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014378
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164886
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917016
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378
N-ethyl-1-[4-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 63640833

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine (CID 65158607) is N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine is CCNC(C)c1ccc(C)cc1OCCC1CCCO1.
What is the InChIKey of N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The InChIKey is SWWJHWRONTVLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18-14(3)16-8-7-13(2)12-17(16)20-11-9-15-6-5-10-19-15/h7-8,12,14-15,18H,4-6,9-11H2,1-3H3.
What are the key properties of N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 65158607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).