3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine

C21H29N3O — CID 110449575

IUPAC3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine
SMILESCOc1cccc2c1CN(CCCN(C)Cc1ccccc1)C2CN
InChIInChI=1S/C21H29N3O/c1-23(15-17-8-4-3-5-9-17)12-7-13-24-16-19-18(20(24)14-22)10-6-11-21(19)25-2/h3-6,8-11,20H,7,12-16,22H2,1-2H3
InChIKeyNCRPJIVJRUFEMS-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.03
Rot. Bonds8

About 3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine

3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine (PubChem CID 110449575) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine
PubChem CID110449575
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine
SMILESCOc1cccc2c1CN(CCCN(C)Cc1ccccc1)C2CN
InChIInChI=1S/C21H29N3O/c1-23(15-17-8-4-3-5-9-17)12-7-13-24-16-19-18(20(24)14-22)10-6-11-21(19)25-2/h3-6,8-11,20H,7,12-16,22H2,1-2H3
InChIKeyNCRPJIVJRUFEMS-UHFFFAOYSA-N
XLogP3.03
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82545401
[4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545386
[4-(1-methylpiperidin-4-yl)oxy-2-pentyl-1,3-dihydroisoindol-1-yl]methanamine
CID 110450239
3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
CID 82545552
[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545594
[2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545280
4-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-dimethylbutan-1-amine
CID 82545450
[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545248
[2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545249
[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 110449570
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545739
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine?
The IUPAC name of 3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine (CID 110449575) is 3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine?
The canonical SMILES for 3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine is COc1cccc2c1CN(CCCN(C)Cc1ccccc1)C2CN.
What is the InChIKey of 3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine?
The InChIKey is NCRPJIVJRUFEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-23(15-17-8-4-3-5-9-17)12-7-13-24-16-19-18(20(24)14-22)10-6-11-21(19)25-2/h3-6,8-11,20H,7,12-16,22H2,1-2H3.
What are the key properties of 3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine?
3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine has a molecular weight of 339.48 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine is sourced from PubChem (CID 110449575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).