(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine

C17H19N — CID 101384659

IUPAC(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H]1Cc2ccccc2[C@@H]1NCc1ccccc1
InChIInChI=1S/C17H19N/c1-13-11-15-9-5-6-10-16(15)17(13)18-12-14-7-3-2-4-8-14/h2-10,13,17-18H,11-12H2,1H3/t13-,17-/m1/s1
InChIKeyUZQLKZQQUXXQIQ-CXAGYDPISA-N
MW237.35 g/mol
LogP3.71
Rot. Bonds3

About (1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine

(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 101384659) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID101384659
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H]1Cc2ccccc2[C@@H]1NCc1ccccc1
InChIInChI=1S/C17H19N/c1-13-11-15-9-5-6-10-16(15)17(13)18-12-14-7-3-2-4-8-14/h2-10,13,17-18H,11-12H2,1H3/t13-,17-/m1/s1
InChIKeyUZQLKZQQUXXQIQ-CXAGYDPISA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine (CID 101384659) is (1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine is C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccccc1.
What is the InChIKey of (1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UZQLKZQQUXXQIQ-CXAGYDPISA-N. The full InChI is InChI=1S/C17H19N/c1-13-11-15-9-5-6-10-16(15)17(13)18-12-14-7-3-2-4-8-14/h2-10,13,17-18H,11-12H2,1H3/t13-,17-/m1/s1.
What are the key properties of (1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine?
(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 237.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 101384659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).