1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine

C25H27N — CID 23202999

IUPAC1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
SMILESCN(C)C1Cc2ccccc2C1Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C25H27N/c1-26(2)25-18-22-10-6-7-11-23(22)24(25)17-21-14-12-20(13-15-21)16-19-8-4-3-5-9-19/h3-15,24-25H,16-18H2,1-2H3
InChIKeyCGHJUHSRDXLRLK-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.09
Rot. Bonds5

About 1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine

1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 23202999) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
PubChem CID23202999
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
SMILESCN(C)C1Cc2ccccc2C1Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C25H27N/c1-26(2)25-18-22-10-6-7-11-23(22)24(25)17-21-14-12-20(13-15-21)16-19-8-4-3-5-9-19/h3-15,24-25H,16-18H2,1-2H3
InChIKeyCGHJUHSRDXLRLK-UHFFFAOYSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine (CID 23202999) is 1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine is CN(C)C1Cc2ccccc2C1Cc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is CGHJUHSRDXLRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-26(2)25-18-22-10-6-7-11-23(22)24(25)17-21-14-12-20(13-15-21)16-19-8-4-3-5-9-19/h3-15,24-25H,16-18H2,1-2H3.
What are the key properties of 1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 341.50 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzylphenyl)methyl]-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 23202999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).