N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine

C15H23N3O — CID 117006197

IUPACN-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine
SMILESCNc1ccc2c(c1)CN(CCN1CCOCC1)C2
InChIInChI=1S/C15H23N3O/c1-16-15-3-2-13-11-18(12-14(13)10-15)5-4-17-6-8-19-9-7-17/h2-3,10,16H,4-9,11-12H2,1H3
InChIKeyQNSDWJMAFDWODE-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.38
Rot. Bonds4

About N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine

N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine (PubChem CID 117006197) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound NameN-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine
PubChem CID117006197
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine
SMILESCNc1ccc2c(c1)CN(CCN1CCOCC1)C2
InChIInChI=1S/C15H23N3O/c1-16-15-3-2-13-11-18(12-14(13)10-15)5-4-17-6-8-19-9-7-17/h2-3,10,16H,4-9,11-12H2,1H3
InChIKeyQNSDWJMAFDWODE-UHFFFAOYSA-N
XLogP1.38
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 59017452
4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456979
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456823
4-fluoro-N-methyl-3-morpholin-4-ylaniline
CID 145213441
1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one
CID 98033832
3-N-methyl-5-N-(2-morpholin-4-ylethyl)pyridine-3,5-diamine
CID 104532718
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
N-methyl-2-[5-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 164565241
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one
CID 162628333
[4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate
CID 171843524

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine (CID 117006197) is N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine is CNc1ccc2c(c1)CN(CCN1CCOCC1)C2.
What is the InChIKey of N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is QNSDWJMAFDWODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-15-3-2-13-11-18(12-14(13)10-15)5-4-17-6-8-19-9-7-17/h2-3,10,16H,4-9,11-12H2,1H3.
What are the key properties of N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine?
N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 261.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 117006197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).