4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine

C28H30N4 — CID 70399774

IUPAC4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine
SMILESNC1Cc2ccccc2C1(N)c1ccccc1.Nc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N2.C13H14N2/c16-14-10-11-6-4-5-9-13(11)15(14,17)12-7-2-1-3-8-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-9,14H,10,16-17H2;1-8H,9,14-15H2
InChIKeyQPZQSRDLCADWLF-UHFFFAOYSA-N
MW422.58 g/mol
LogP4.21
Rot. Bonds3

About 4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine

4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine (PubChem CID 70399774) has the molecular formula C28H30N4 and a molecular weight of 422.58 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine
PubChem CID70399774
Molecular FormulaC28H30N4
Molecular Weight422.58 g/mol
Exact Mass422.25
IUPAC Name4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine
SMILESNC1Cc2ccccc2C1(N)c1ccccc1.Nc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N2.C13H14N2/c16-14-10-11-6-4-5-9-13(11)15(14,17)12-7-2-1-3-8-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-9,14H,10,16-17H2;1-8H,9,14-15H2
InChIKeyQPZQSRDLCADWLF-UHFFFAOYSA-N
XLogP4.21
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,4'-(9-Fluorenylidene)dianiline
CID 631552
9,9-Bis(4-amino-3-methylphenyl)fluorene
CID 21872150
9,9-Bis(4-amino-3-fluorophenyl)fluorene
CID 44629774
9,9'-Spirobi(9H-fluoren)-2-amine
CID 58850838
Fluorene-2,9-diamine
CID 245101
2-Amino-9,9-diphenylfluorene
CID 70700696
Benzenamine, 2-(9H-fluoren-9-ylidenephenylmethyl)-
CID 11988680
9,9'-Spirobi[fluorene]-2,2'-diamine
CID 15415866
Bis(4 aminophenyl)fluorene
CID 19793996
9,9'-Spirobi[fluorene]-2,2',7,7'-tetraamine
CID 66807100
4-[9-(4-Aminophenyl)-2-fluorofluoren-9-yl]aniline
CID 18790923
4-[9-(4-Aminophenyl)fluoren-9-yl]-2-fluoroaniline
CID 21131238

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine?
The IUPAC name of 4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine (CID 70399774) is 4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine.
What is the SMILES notation for 4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine?
The canonical SMILES for 4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine is NC1Cc2ccccc2C1(N)c1ccccc1.Nc1ccc(Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine?
The InChIKey is QPZQSRDLCADWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2.C13H14N2/c16-14-10-11-6-4-5-9-13(11)15(14,17)12-7-2-1-3-8-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-9,14H,10,16-17H2;1-8H,9,14-15H2.
What are the key properties of 4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine?
4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine has a molecular weight of 422.58 g/mol, XLogP of 4.21, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine is sourced from PubChem (CID 70399774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).