N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine

C17H27NO2 — CID 103987406

IUPACN-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(CC2CCOC2)NCC)cc1
InChIInChI=1S/C17H27NO2/c1-3-10-20-16-7-5-15(6-8-16)17(18-4-2)12-14-9-11-19-13-14/h5-8,14,17-18H,3-4,9-13H2,1-2H3
InChIKeyRVEALLXWCQAODQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.55
Rot. Bonds8

About N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine

N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine (PubChem CID 103987406) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine
PubChem CID103987406
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(CC2CCOC2)NCC)cc1
InChIInChI=1S/C17H27NO2/c1-3-10-20-16-7-5-15(6-8-16)17(18-4-2)12-14-9-11-19-13-14/h5-8,14,17-18H,3-4,9-13H2,1-2H3
InChIKeyRVEALLXWCQAODQ-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271
N-ethyl-1-naphthalen-2-yl-2-(oxolan-3-yl)ethanamine
CID 103987345
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987161
N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493
N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987410
N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103987178
1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987375
[2-(oxolan-3-yl)-1-(4-propylphenyl)ethyl]hydrazine
CID 105265959
[2-cycloheptyl-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105303625
N-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246
1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362131
N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116545062

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine (CID 103987406) is N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(CC2CCOC2)NCC)cc1.
What is the InChIKey of N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is RVEALLXWCQAODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-10-20-16-7-5-15(6-8-16)17(18-4-2)12-14-9-11-19-13-14/h5-8,14,17-18H,3-4,9-13H2,1-2H3.
What are the key properties of N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine?
N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 103987406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).