N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C21H21N — CID 134791752

IUPACN-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1cccc2ccccc12)C1CCc2ccccc21
InChIInChI=1S/C21H21N/c1-22(21-14-13-17-8-3-5-12-20(17)21)15-18-10-6-9-16-7-2-4-11-19(16)18/h2-12,21H,13-15H2,1H3
InChIKeyNIZIRJSMIUQSQP-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.96
Rot. Bonds3

About N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine

N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 134791752) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID134791752
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC NameN-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1cccc2ccccc12)C1CCc2ccccc21
InChIInChI=1S/C21H21N/c1-22(21-14-13-17-8-3-5-12-20(17)21)15-18-10-6-9-16-7-2-4-11-19(16)18/h2-12,21H,13-15H2,1H3
InChIKeyNIZIRJSMIUQSQP-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039074
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82976717
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide
CID 97184949
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
CID 134043154
4-bromo-2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82977314
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-naphthalen-1-ylacetamide
CID 36674335
2-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135914752
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039099
4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
CID 47147174
2-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]phthalazin-1-one
CID 36503075
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 134791752) is N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine is CN(Cc1cccc2ccccc12)C1CCc2ccccc21.
What is the InChIKey of N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NIZIRJSMIUQSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-22(21-14-13-17-8-3-5-12-20(17)21)15-18-10-6-9-16-7-2-4-11-19(16)18/h2-12,21H,13-15H2,1H3.
What are the key properties of N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 287.41 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 134791752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).