[2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine

C13H20N2O — CID 82545280

IUPAC[2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOCCCN1Cc2ccccc2C1CN
InChIInChI=1S/C13H20N2O/c1-16-8-4-7-15-10-11-5-2-3-6-12(11)13(15)9-14/h2-3,5-6,13H,4,7-10,14H2,1H3
InChIKeyWHCVXKZAMPQOKS-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.54
Rot. Bonds5

About [2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine

[2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545280) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545280
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOCCCN1Cc2ccccc2C1CN
InChIInChI=1S/C13H20N2O/c1-16-8-4-7-15-10-11-5-2-3-6-12(11)13(15)9-14/h2-3,5-6,13H,4,7-10,14H2,1H3
InChIKeyWHCVXKZAMPQOKS-UHFFFAOYSA-N
XLogP1.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine 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-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545249
[2-(4-imidazol-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545229
[6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82544624
(2-hexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82545401
[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545248
1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
CID 62342338
4-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-dimethylbutan-1-amine
CID 82545450
3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine
CID 110449575
[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 63949433
3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
CID 82545552
[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545777
[4-(1-methylpiperidin-4-yl)oxy-2-pentyl-1,3-dihydroisoindol-1-yl]methanamine
CID 110450239

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82545280) is [2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine is COCCCN1Cc2ccccc2C1CN.
What is the InChIKey of [2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is WHCVXKZAMPQOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-8-4-7-15-10-11-5-2-3-6-12(11)13(15)9-14/h2-3,5-6,13H,4,7-10,14H2,1H3.
What are the key properties of [2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine?
[2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).