3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine

C14H20N2O — CID 84795576

IUPAC3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine
SMILESCCN1Cc2ccc(C3COCCN3)cc2C1
InChIInChI=1S/C14H20N2O/c1-2-16-8-12-4-3-11(7-13(12)9-16)14-10-17-6-5-15-14/h3-4,7,14-15H,2,5-6,8-10H2,1H3
InChIKeyBEKXICCRJHQYPP-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.68
Rot. Bonds2

About 3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine

3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine (PubChem CID 84795576) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine.

Molecular Properties

Compound Name3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine
PubChem CID84795576
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine
SMILESCCN1Cc2ccc(C3COCCN3)cc2C1
InChIInChI=1S/C14H20N2O/c1-2-16-8-12-4-3-11(7-13(12)9-16)14-10-17-6-5-15-14/h3-4,7,14-15H,2,5-6,8-10H2,1H3
InChIKeyBEKXICCRJHQYPP-UHFFFAOYSA-N
XLogP1.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 90722360
(3S)-3-(9-ethylcarbazol-3-yl)morpholine
CID 171193383
(3S)-3-(9H-fluoren-2-yl)morpholine
CID 171193402
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 96765724
(3S)-3-(4-iodophenyl)morpholine
CID 130690924
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride
CID 171193100
3-(3-ethyl-4-methoxyphenyl)morpholine
CID 82286598
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
(3R)-3-(3-iodo-4-methylphenyl)morpholine
CID 131084695
3-(6-methylnaphthalen-2-yl)morpholine
CID 116963155

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine?
The IUPAC name of 3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine (CID 84795576) is 3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine.
What is the SMILES notation for 3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine?
The canonical SMILES for 3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine is CCN1Cc2ccc(C3COCCN3)cc2C1.
What is the InChIKey of 3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine?
The InChIKey is BEKXICCRJHQYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-16-8-12-4-3-11(7-13(12)9-16)14-10-17-6-5-15-14/h3-4,7,14-15H,2,5-6,8-10H2,1H3.
What are the key properties of 3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine?
3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine has a molecular weight of 232.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-1,3-dihydroisoindol-5-yl)morpholine is sourced from PubChem (CID 84795576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).