2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine

C18H21N — CID 174285710

IUPAC2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(C)c2c(c1)C(N)C(Cc1ccccc1)C2
InChIInChI=1S/C18H21N/c1-12-8-13(2)16-11-15(18(19)17(16)9-12)10-14-6-4-3-5-7-14/h3-9,15,18H,10-11,19H2,1-2H3
InChIKeyKCJSIUWPDSEBNV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.72
Rot. Bonds2

About 2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine

2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 174285710) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID174285710
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(C)c2c(c1)C(N)C(Cc1ccccc1)C2
InChIInChI=1S/C18H21N/c1-12-8-13(2)16-11-15(18(19)17(16)9-12)10-14-6-4-3-5-7-14/h3-9,15,18H,10-11,19H2,1-2H3
InChIKeyKCJSIUWPDSEBNV-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine (CID 174285710) is 2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine is Cc1cc(C)c2c(c1)C(N)C(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KCJSIUWPDSEBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-12-8-13(2)16-11-15(18(19)17(16)9-12)10-14-6-4-3-5-7-14/h3-9,15,18H,10-11,19H2,1-2H3.
What are the key properties of 2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,6-dimethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 174285710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).