2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine

C28H31N — CID 23014756

IUPAC2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine
SMILESCC(C)(C)NC(C)(C)c1ccccc1C1C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C28H31N/c1-27(2,3)29-28(4,5)25-18-12-11-17-23(25)26-22-16-10-9-15-21(22)19-24(26)20-13-7-6-8-14-20/h6-19,26,29H,1-5H3
InChIKeyALSUDDHUKGZKLK-UHFFFAOYSA-N
MW381.56 g/mol
LogP7.00
Rot. Bonds4

About 2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine

2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine (PubChem CID 23014756) has the molecular formula C28H31N and a molecular weight of 381.56 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine
PubChem CID23014756
Molecular FormulaC28H31N
Molecular Weight381.56 g/mol
Exact Mass381.25
IUPAC Name2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine
SMILESCC(C)(C)NC(C)(C)c1ccccc1C1C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C28H31N/c1-27(2,3)29-28(4,5)25-18-12-11-17-23(25)26-22-16-10-9-15-21(22)19-24(26)20-13-7-6-8-14-20/h6-19,26,29H,1-5H3
InChIKeyALSUDDHUKGZKLK-UHFFFAOYSA-N
XLogP7.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-methoxypropan-2-yl)-2-phenyl-1H-indene
CID 135008683
bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride
CID 23015547
(1S)-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 134964363
bis(1-cyclopenta-1,3-dien-1-yl-2-phenyl-1H-indene);zirconium(2+)
CID 172693912
1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone
CID 139946466
phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride
CID 87500897
2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline
CID 68553293
trimethyl-(2-phenyl-1H-inden-1-yl)silane
CID 91802110
2-methyl-N-[2-[2-(2-methylcyclopenta-2,4-dien-1-yl)phenyl]propan-2-yl]propan-2-amine
CID 154499995
2-[2-(2-methyl-1H-inden-1-yl)phenyl]propan-2-ol
CID 139951458
3-methyl-2-phenyl-4-(2-phenyl-1H-inden-1-yl)-1H-inden-1-ide;zirconium
CID 173299838
[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]methanol
CID 23016258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine (CID 23014756) is 2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine is CC(C)(C)NC(C)(C)c1ccccc1C1C(c2ccccc2)=Cc2ccccc21.
What is the InChIKey of 2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine?
The InChIKey is ALSUDDHUKGZKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N/c1-27(2,3)29-28(4,5)25-18-12-11-17-23(25)26-22-16-10-9-15-21(22)19-24(26)20-13-7-6-8-14-20/h6-19,26,29H,1-5H3.
What are the key properties of 2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine?
2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine has a molecular weight of 381.56 g/mol, XLogP of 7.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine is sourced from PubChem (CID 23014756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).