N-benzyl-1H-inden-1-amine

C16H15N — CID 141131731

IUPACN-benzyl-1H-inden-1-amine
SMILESC1=CC(NCc2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)16/h1-11,16-17H,12H2
InChIKeyRBKHCRXAJIQHCN-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.54
Rot. Bonds3

About N-benzyl-1H-inden-1-amine

N-benzyl-1H-inden-1-amine (PubChem CID 141131731) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is N-benzyl-1H-inden-1-amine.

Molecular Properties

Compound NameN-benzyl-1H-inden-1-amine
PubChem CID141131731
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC NameN-benzyl-1H-inden-1-amine
SMILESC1=CC(NCc2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)16/h1-11,16-17H,12H2
InChIKeyRBKHCRXAJIQHCN-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-inden-1-amine?
The IUPAC name of N-benzyl-1H-inden-1-amine (CID 141131731) is N-benzyl-1H-inden-1-amine.
What is the SMILES notation for N-benzyl-1H-inden-1-amine?
The canonical SMILES for N-benzyl-1H-inden-1-amine is C1=CC(NCc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-1H-inden-1-amine?
The InChIKey is RBKHCRXAJIQHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)16/h1-11,16-17H,12H2.
What are the key properties of N-benzyl-1H-inden-1-amine?
N-benzyl-1H-inden-1-amine has a molecular weight of 221.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1H-inden-1-amine is sourced from PubChem (CID 141131731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).