4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine

C14H15N3 — CID 106750709

IUPAC4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine
SMILESNc1ccc(N2Cc3ccccc3C2)cc1N
InChIInChI=1S/C14H15N3/c15-13-6-5-12(7-14(13)16)17-8-10-3-1-2-4-11(10)9-17/h1-7H,8-9,15-16H2
InChIKeyWFKPOUMSTNLKAO-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.37
Rot. Bonds1

About 4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine

4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine (PubChem CID 106750709) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine
PubChem CID106750709
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine
SMILESNc1ccc(N2Cc3ccccc3C2)cc1N
InChIInChI=1S/C14H15N3/c15-13-6-5-12(7-14(13)16)17-8-10-3-1-2-4-11(10)9-17/h1-7H,8-9,15-16H2
InChIKeyWFKPOUMSTNLKAO-UHFFFAOYSA-N
XLogP2.37
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dihydroisoindol-2-yl)-2-ethoxyaniline
CID 63676090
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline
CID 62911258
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(trifluoromethyl)aniline
CID 28510065
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
[4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine
CID 115366831
4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine
CID 106750970
4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine
CID 131071375
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonylaniline
CID 53410190
2-chloro-4-(1,3-dihydroisoindol-2-yl)benzenecarbothioamide
CID 62948137
2-(3-nitrophenyl)-1,3-dihydroisoindole
CID 698272
2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine
CID 43370098
6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine
CID 90680235

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine (CID 106750709) is 4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine is Nc1ccc(N2Cc3ccccc3C2)cc1N.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine?
The InChIKey is WFKPOUMSTNLKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-13-6-5-12(7-14(13)16)17-8-10-3-1-2-4-11(10)9-17/h1-7H,8-9,15-16H2.
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine?
4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine has a molecular weight of 225.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 106750709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).