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

C16H17N — CID 10130724

IUPACN-benzyl-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc(CNC2CCc3ccccc32)cc1
InChIInChI=1S/C16H17N/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)16/h1-9,16-17H,10-12H2
InChIKeyPCOXFQPFGPYUBK-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.46
Rot. Bonds3

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

N-benzyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 10130724) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N-benzyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-benzyl-2,3-dihydro-1H-inden-1-amine
PubChem CID10130724
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN-benzyl-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc(CNC2CCc3ccccc32)cc1
InChIInChI=1S/C16H17N/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)16/h1-9,16-17H,10-12H2
InChIKeyPCOXFQPFGPYUBK-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-benzyl-2,3-dihydro-1H-inden-1-amine (CID 10130724) is N-benzyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-benzyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-benzyl-2,3-dihydro-1H-inden-1-amine is c1ccc(CNC2CCc3ccccc32)cc1.
What is the InChIKey of N-benzyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PCOXFQPFGPYUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)16/h1-9,16-17H,10-12H2.
What are the key properties of N-benzyl-2,3-dihydro-1H-inden-1-amine?
N-benzyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 223.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 10130724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).