4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine

C15H22N2O — CID 103998079

IUPAC4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine
SMILESCCC1COCCN1Cc1ccc2c(c1)CNC2
InChIInChI=1S/C15H22N2O/c1-2-15-11-18-6-5-17(15)10-12-3-4-13-8-16-9-14(13)7-12/h3-4,7,15-16H,2,5-6,8-11H2,1H3
InChIKeyJRGDUFQZJKDSPH-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.90
Rot. Bonds3

About 4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine

4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine (PubChem CID 103998079) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine
PubChem CID103998079
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine
SMILESCCC1COCCN1Cc1ccc2c(c1)CNC2
InChIInChI=1S/C15H22N2O/c1-2-15-11-18-6-5-17(15)10-12-3-4-13-8-16-9-14(13)7-12/h3-4,7,15-16H,2,5-6,8-11H2,1H3
InChIKeyJRGDUFQZJKDSPH-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine
CID 83096056
3-[(3-ethylmorpholin-4-yl)methyl]aniline
CID 43611627
2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine
CID 105347112
1-[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]-N-methylmethanamine
CID 83100150
4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43613257
4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
CID 106793496
5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295011
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65344113
3-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]prop-2-enoic acid
CID 76909426
[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 18933378
[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
CID 83096554

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine?
The IUPAC name of 4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine (CID 103998079) is 4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine.
What is the SMILES notation for 4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine?
The canonical SMILES for 4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine is CCC1COCCN1Cc1ccc2c(c1)CNC2.
What is the InChIKey of 4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine?
The InChIKey is JRGDUFQZJKDSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-15-11-18-6-5-17(15)10-12-3-4-13-8-16-9-14(13)7-12/h3-4,7,15-16H,2,5-6,8-11H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine?
4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine has a molecular weight of 246.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine is sourced from PubChem (CID 103998079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).