(1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine

C21H21N — CID 10171662

IUPAC(1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)[C@H]1C[C@@H](c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C21H21N/c1-22(2)21-14-20(18-9-5-6-10-19(18)21)17-12-11-15-7-3-4-8-16(15)13-17/h3-13,20-21H,14H2,1-2H3/t20-,21-/m0/s1
InChIKeyXQWWILDNIXNWIZ-SFTDATJTSA-N
MW287.41 g/mol
LogP4.98
Rot. Bonds2

About (1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine

(1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine (PubChem CID 10171662) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is (1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine
PubChem CID10171662
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name(1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)[C@H]1C[C@@H](c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C21H21N/c1-22(2)21-14-20(18-9-5-6-10-19(18)21)17-12-11-15-7-3-4-8-16(15)13-17/h3-13,20-21H,14H2,1-2H3/t20-,21-/m0/s1
InChIKeyXQWWILDNIXNWIZ-SFTDATJTSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine (CID 10171662) is (1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine is CN(C)[C@H]1C[C@@H](c2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of (1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XQWWILDNIXNWIZ-SFTDATJTSA-N. The full InChI is InChI=1S/C21H21N/c1-22(2)21-14-20(18-9-5-6-10-19(18)21)17-12-11-15-7-3-4-8-16(15)13-17/h3-13,20-21H,14H2,1-2H3/t20-,21-/m0/s1.
What are the key properties of (1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine?
(1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 287.41 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 10171662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).