4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine

C14H15N3 — CID 69135633

IUPAC4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cccc3c2CCN3)cc1
InChIInChI=1S/C14H15N3/c15-10-4-6-11(7-5-10)17-14-3-1-2-13-12(14)8-9-16-13/h1-7,16-17H,8-9,15H2
InChIKeyIFBOMNSKCQNZGI-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.98
Rot. Bonds2

About 4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine

4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine (PubChem CID 69135633) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine
PubChem CID69135633
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cccc3c2CCN3)cc1
InChIInChI=1S/C14H15N3/c15-10-4-6-11(7-5-10)17-14-3-1-2-13-12(14)8-9-16-13/h1-7,16-17H,8-9,15H2
InChIKeyIFBOMNSKCQNZGI-UHFFFAOYSA-N
XLogP2.98
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine (CID 69135633) is 4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine is Nc1ccc(Nc2cccc3c2CCN3)cc1.
What is the InChIKey of 4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine?
The InChIKey is IFBOMNSKCQNZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-10-4-6-11(7-5-10)17-14-3-1-2-13-12(14)8-9-16-13/h1-7,16-17H,8-9,15H2.
What are the key properties of 4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine?
4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine has a molecular weight of 225.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1H-indol-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 69135633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).