N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine

C28H32N2 — CID 123465142

IUPACN-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine
SMILESCC1CN(Cc2ccccc2)C1CCN(c1ccccc1)C1Cc2ccccc2C1
InChIInChI=1S/C28H32N2/c1-22-20-29(21-23-10-4-2-5-11-23)28(22)16-17-30(26-14-6-3-7-15-26)27-18-24-12-8-9-13-25(24)19-27/h2-15,22,27-28H,16-21H2,1H3
InChIKeyIVKMJKVLRJZRCU-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.57
Rot. Bonds7

About N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine

N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 123465142) has the molecular formula C28H32N2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine
PubChem CID123465142
Molecular FormulaC28H32N2
Molecular Weight396.58 g/mol
Exact Mass396.26
IUPAC NameN-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine
SMILESCC1CN(Cc2ccccc2)C1CCN(c1ccccc1)C1Cc2ccccc2C1
InChIInChI=1S/C28H32N2/c1-22-20-29(21-23-10-4-2-5-11-23)28(22)16-17-30(26-14-6-3-7-15-26)27-18-24-12-8-9-13-25(24)19-27/h2-15,22,27-28H,16-21H2,1H3
InChIKeyIVKMJKVLRJZRCU-UHFFFAOYSA-N
XLogP5.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine (CID 123465142) is N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine is CC1CN(Cc2ccccc2)C1CCN(c1ccccc1)C1Cc2ccccc2C1.
What is the InChIKey of N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is IVKMJKVLRJZRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2/c1-22-20-29(21-23-10-4-2-5-11-23)28(22)16-17-30(26-14-6-3-7-15-26)27-18-24-12-8-9-13-25(24)19-27/h2-15,22,27-28H,16-21H2,1H3.
What are the key properties of N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine?
N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 396.58 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 123465142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).