1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine

C18H21N — CID 23203038

IUPAC1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
SMILESCN(C)C1Cc2ccccc2C1Cc1ccccc1
InChIInChI=1S/C18H21N/c1-19(2)18-13-15-10-6-7-11-16(15)17(18)12-14-8-4-3-5-9-14/h3-11,17-18H,12-13H2,1-2H3
InChIKeyKPEBFDZMALALJA-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.50
Rot. Bonds3

About 1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine

1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 23203038) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
PubChem CID23203038
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
SMILESCN(C)C1Cc2ccccc2C1Cc1ccccc1
InChIInChI=1S/C18H21N/c1-19(2)18-13-15-10-6-7-11-16(15)17(18)12-14-8-4-3-5-9-14/h3-11,17-18H,12-13H2,1-2H3
InChIKeyKPEBFDZMALALJA-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine (CID 23203038) is 1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine is CN(C)C1Cc2ccccc2C1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is KPEBFDZMALALJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-19(2)18-13-15-10-6-7-11-16(15)17(18)12-14-8-4-3-5-9-14/h3-11,17-18H,12-13H2,1-2H3.
What are the key properties of 1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 23203038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).