2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine

C25H26N2 — CID 14401683

IUPAC2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine
SMILESCc1cc(C2CCc3ccccc32)c(N)c(C2CCc3ccccc32)c1N
InChIInChI=1S/C25H26N2/c1-15-14-22(20-12-10-16-6-2-4-8-18(16)20)25(27)23(24(15)26)21-13-11-17-7-3-5-9-19(17)21/h2-9,14,20-21H,10-13,26-27H2,1H3
InChIKeyBQLXZMRQPRYXFX-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.32
Rot. Bonds2

About 2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine

2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine (PubChem CID 14401683) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine
PubChem CID14401683
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine
SMILESCc1cc(C2CCc3ccccc32)c(N)c(C2CCc3ccccc32)c1N
InChIInChI=1S/C25H26N2/c1-15-14-22(20-12-10-16-6-2-4-8-18(16)20)25(27)23(24(15)26)21-13-11-17-7-3-5-9-19(17)21/h2-9,14,20-21H,10-13,26-27H2,1H3
InChIKeyBQLXZMRQPRYXFX-UHFFFAOYSA-N
XLogP5.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine?
The IUPAC name of 2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine (CID 14401683) is 2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine.
What is the SMILES notation for 2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine?
The canonical SMILES for 2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine is Cc1cc(C2CCc3ccccc32)c(N)c(C2CCc3ccccc32)c1N.
What is the InChIKey of 2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine?
The InChIKey is BQLXZMRQPRYXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-15-14-22(20-12-10-16-6-2-4-8-18(16)20)25(27)23(24(15)26)21-13-11-17-7-3-5-9-19(17)21/h2-9,14,20-21H,10-13,26-27H2,1H3.
What are the key properties of 2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine?
2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine has a molecular weight of 354.50 g/mol, XLogP of 5.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine is sourced from PubChem (CID 14401683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).