N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine

C14H17N3O2 — CID 107683362

IUPACN-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OCc3nonc3C)ccc21
InChIInChI=1S/C14H17N3O2/c1-9-14(17-19-16-9)8-18-11-4-5-12-10(7-11)3-6-13(12)15-2/h4-5,7,13,15H,3,6,8H2,1-2H3
InChIKeyJIFPLZRFVRLZHM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.16
Rot. Bonds4

About N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine

N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683362) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID107683362
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OCc3nonc3C)ccc21
InChIInChI=1S/C14H17N3O2/c1-9-14(17-19-16-9)8-18-11-4-5-12-10(7-11)3-6-13(12)15-2/h4-5,7,13,15H,3,6,8H2,1-2H3
InChIKeyJIFPLZRFVRLZHM-UHFFFAOYSA-N
XLogP2.16
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine with MolForge

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Related Compounds

N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683366
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229
N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683464
5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683254
5-[(2,3-difluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683246
5-[(5-chloro-2-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683270
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683654
5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683380
5-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683372
N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683376
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine (CID 107683362) is N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine is CNC1CCc2cc(OCc3nonc3C)ccc21.
What is the InChIKey of N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JIFPLZRFVRLZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-14(17-19-16-9)8-18-11-4-5-12-10(7-11)3-6-13(12)15-2/h4-5,7,13,15H,3,6,8H2,1-2H3.
What are the key properties of N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 259.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).