N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine

C16H25NO3 — CID 62111411

IUPACN-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
SMILESCCNCC(OCC1CCOC1)c1ccccc1OC
InChIInChI=1S/C16H25NO3/c1-3-17-10-16(20-12-13-8-9-19-11-13)14-6-4-5-7-15(14)18-2/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyKGMVRXJLLQCFSF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.40
Rot. Bonds8

About N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine

N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine (PubChem CID 62111411) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
PubChem CID62111411
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
SMILESCCNCC(OCC1CCOC1)c1ccccc1OC
InChIInChI=1S/C16H25NO3/c1-3-17-10-16(20-12-13-8-9-19-11-13)14-6-4-5-7-15(14)18-2/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyKGMVRXJLLQCFSF-UHFFFAOYSA-N
XLogP2.40
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine
CID 62382212
2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 55036296
2-(2-fluorophenyl)-N-methyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 62110742
N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine
CID 62110739
N-ethyl-3-methyl-2-(oxolan-3-ylmethoxy)butan-1-amine
CID 62485416
N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine
CID 62109368
3-[[1-(2-bromophenyl)-2-iodoethoxy]methyl]oxolane
CID 114773806
N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine
CID 62111242
N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057940
2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
CID 62107604
N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62108277
1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine
CID 55018768

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine?
The IUPAC name of N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine (CID 62111411) is N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine is CCNCC(OCC1CCOC1)c1ccccc1OC.
What is the InChIKey of N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine?
The InChIKey is KGMVRXJLLQCFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-17-10-16(20-12-13-8-9-19-11-13)14-6-4-5-7-15(14)18-2/h4-7,13,16-17H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine?
N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine is sourced from PubChem (CID 62111411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).