[6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine

C15H25N3O — CID 82544624

IUPAC[6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOCCN1Cc2ccc(CN(C)C)cc2C1CN
InChIInChI=1S/C15H25N3O/c1-17(2)10-12-4-5-13-11-18(6-7-19-3)15(9-16)14(13)8-12/h4-5,8,15H,6-7,9-11,16H2,1-3H3
InChIKeyMBLBQMRYMRNDOJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.21
Rot. Bonds6

About [6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine

[6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82544624) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82544624
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOCCN1Cc2ccc(CN(C)C)cc2C1CN
InChIInChI=1S/C15H25N3O/c1-17(2)10-12-4-5-13-11-18(6-7-19-3)15(9-16)14(13)8-12/h4-5,8,15H,6-7,9-11,16H2,1-3H3
InChIKeyMBLBQMRYMRNDOJ-UHFFFAOYSA-N
XLogP1.21
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82544636
4-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-dimethylbutan-1-amine
CID 82545450
[2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545280
3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
CID 82545552
2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
CID 82544662
2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine
CID 82545451
[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545777
3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine
CID 110449631
[6-methyl-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545752
3-(aminomethyl)-2-(3-imidazol-1-ylpropyl)-N,N-dimethyl-1,3-dihydroisoindol-5-amine
CID 82544969
[2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545249
[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545430

Frequently Asked Questions

What is the IUPAC name of [6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82544624) is [6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine is COCCN1Cc2ccc(CN(C)C)cc2C1CN.
What is the InChIKey of [6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is MBLBQMRYMRNDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17(2)10-12-4-5-13-11-18(6-7-19-3)15(9-16)14(13)8-12/h4-5,8,15H,6-7,9-11,16H2,1-3H3.
What are the key properties of [6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine?
[6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82544624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).