[6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine

C21H21N3O — CID 110450172

IUPAC[6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cc(Oc3ccccc3)ccc2CN1Cc1cccnc1
InChIInChI=1S/C21H21N3O/c22-12-21-20-11-19(25-18-6-2-1-3-7-18)9-8-17(20)15-24(21)14-16-5-4-10-23-13-16/h1-11,13,21H,12,14-15,22H2
InChIKeyVEAQREQMCJPAKX-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.89
Rot. Bonds5

About [6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine

[6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 110450172) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is [6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID110450172
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name[6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cc(Oc3ccccc3)ccc2CN1Cc1cccnc1
InChIInChI=1S/C21H21N3O/c22-12-21-20-11-19(25-18-6-2-1-3-7-18)9-8-17(20)15-24(21)14-16-5-4-10-23-13-16/h1-11,13,21H,12,14-15,22H2
InChIKeyVEAQREQMCJPAKX-UHFFFAOYSA-N
XLogP3.89
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-phenoxy-2-(pyridin-3-ylmethyl)-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-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544349
[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545430
[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545777
(2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544336
2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide
CID 134342995
[2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine
CID 110450211
4-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-dimethylbutan-1-amine
CID 82545450
2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 174891320
2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile
CID 82163939
2-[(2-benzyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
CID 42849780
2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine
CID 82545451
[(2R,3R)-2-methyl-1-(pyridin-3-ylmethyl)azepan-3-yl]methanamine
CID 96597473

Frequently Asked Questions

What is the IUPAC name of [6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine (CID 110450172) is [6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine is NCC1c2cc(Oc3ccccc3)ccc2CN1Cc1cccnc1.
What is the InChIKey of [6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is VEAQREQMCJPAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c22-12-21-20-11-19(25-18-6-2-1-3-7-18)9-8-17(20)15-24(21)14-16-5-4-10-23-13-16/h1-11,13,21H,12,14-15,22H2.
What are the key properties of [6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
[6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 331.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 110450172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).