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

C18H19N — CID 155933447

IUPACN-benzyl-N,1-dimethyl-1H-inden-2-amine
SMILESCC1C(N(C)Cc2ccccc2)=Cc2ccccc21
InChIInChI=1S/C18H19N/c1-14-17-11-7-6-10-16(17)12-18(14)19(2)13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyVAWOKKOBKSENQP-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.28
Rot. Bonds3

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

N-benzyl-N,1-dimethyl-1H-inden-2-amine (PubChem CID 155933447) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is N-benzyl-N,1-dimethyl-1H-inden-2-amine.

Molecular Properties

Compound NameN-benzyl-N,1-dimethyl-1H-inden-2-amine
PubChem CID155933447
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC NameN-benzyl-N,1-dimethyl-1H-inden-2-amine
SMILESCC1C(N(C)Cc2ccccc2)=Cc2ccccc21
InChIInChI=1S/C18H19N/c1-14-17-11-7-6-10-16(17)12-18(14)19(2)13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyVAWOKKOBKSENQP-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,1-dimethyl-1H-inden-2-amine?
The IUPAC name of N-benzyl-N,1-dimethyl-1H-inden-2-amine (CID 155933447) is N-benzyl-N,1-dimethyl-1H-inden-2-amine.
What is the SMILES notation for N-benzyl-N,1-dimethyl-1H-inden-2-amine?
The canonical SMILES for N-benzyl-N,1-dimethyl-1H-inden-2-amine is CC1C(N(C)Cc2ccccc2)=Cc2ccccc21.
What is the InChIKey of N-benzyl-N,1-dimethyl-1H-inden-2-amine?
The InChIKey is VAWOKKOBKSENQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-14-17-11-7-6-10-16(17)12-18(14)19(2)13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3.
What are the key properties of N-benzyl-N,1-dimethyl-1H-inden-2-amine?
N-benzyl-N,1-dimethyl-1H-inden-2-amine has a molecular weight of 249.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,1-dimethyl-1H-inden-2-amine is sourced from PubChem (CID 155933447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).