2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

C16H27N3O — CID 83214111

IUPAC2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCN1CCOC(Cn2cc3c(c2)C(NC)CCC3)C1
InChIInChI=1S/C16H27N3O/c1-3-18-7-8-20-14(10-18)11-19-9-13-5-4-6-16(17-2)15(13)12-19/h9,12,14,16-17H,3-8,10-11H2,1-2H3
InChIKeySPEWFDMHYIGMGZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.81
Rot. Bonds4

About 2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83214111) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83214111
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCN1CCOC(Cn2cc3c(c2)C(NC)CCC3)C1
InChIInChI=1S/C16H27N3O/c1-3-18-7-8-20-14(10-18)11-19-9-13-5-4-6-16(17-2)15(13)12-19/h9,12,14,16-17H,3-8,10-11H2,1-2H3
InChIKeySPEWFDMHYIGMGZ-UHFFFAOYSA-N
XLogP1.81
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208839
N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 103136377
2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208813
2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213581
2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208559
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83210466
N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208461
2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83210816
1-[(4-ethylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 114401128
[1-[(4-ethylmorpholin-2-yl)methyl]triazol-4-yl]methanol
CID 79183183
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde
CID 79182621
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 83214111) is 2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is CCN1CCOC(Cn2cc3c(c2)C(NC)CCC3)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is SPEWFDMHYIGMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-18-7-8-20-14(10-18)11-19-9-13-5-4-6-16(17-2)15(13)12-19/h9,12,14,16-17H,3-8,10-11H2,1-2H3.
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 277.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83214111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).