N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine

C17H27NO3 — CID 65158829

IUPACN-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCC)c1OCCC1CCCO1
InChIInChI=1S/C17H27NO3/c1-3-18-13-14-7-5-9-16(19-4-2)17(14)21-12-10-15-8-6-11-20-15/h5,7,9,15,18H,3-4,6,8,10-13H2,1-2H3
InChIKeyXHGFREHFZPSWRK-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.14
Rot. Bonds9

About N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine

N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 65158829) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID65158829
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCC)c1OCCC1CCCO1
InChIInChI=1S/C17H27NO3/c1-3-18-13-14-7-5-9-16(19-4-2)17(14)21-12-10-15-8-6-11-20-15/h5,7,9,15,18H,3-4,6,8,10-13H2,1-2H3
InChIKeyXHGFREHFZPSWRK-UHFFFAOYSA-N
XLogP3.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992776
N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43591779
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 17212561
3-ethoxy-2-[3-(oxolan-2-yl)propoxy]benzaldehyde
CID 65161228
N-[(2-butoxy-3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 54847592
N-[[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158931
N-[[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953760
1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804284
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxy-2-propoxyphenyl)methyl]methanamine
CID 119124588
N-[[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 65158637
[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65162888

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine (CID 65158829) is N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1cccc(OCC)c1OCCC1CCCO1.
What is the InChIKey of N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is XHGFREHFZPSWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-18-13-14-7-5-9-16(19-4-2)17(14)21-12-10-15-8-6-11-20-15/h5,7,9,15,18H,3-4,6,8,10-13H2,1-2H3.
What are the key properties of N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 65158829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).