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

C18H18FN5O — CID 131961730

IUPAC4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1F)CCC2Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C18H18FN5O/c1-11-3-4-12(24-10-20-22-23-24)9-16(11)21-15-7-5-14-13(15)6-8-17(25-2)18(14)19/h3-4,6,8-10,15,21H,5,7H2,1-2H3
InChIKeyMHMMRWREEBJWJI-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.22
Rot. Bonds4

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

4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 131961730) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID131961730
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1F)CCC2Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C18H18FN5O/c1-11-3-4-12(24-10-20-22-23-24)9-16(11)21-15-7-5-14-13(15)6-8-17(25-2)18(14)19/h3-4,6,8-10,15,21H,5,7H2,1-2H3
InChIKeyMHMMRWREEBJWJI-UHFFFAOYSA-N
XLogP3.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine (CID 131961730) is 4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1F)CCC2Nc1cc(-n2cnnn2)ccc1C.
What is the InChIKey of 4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MHMMRWREEBJWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-11-3-4-12(24-10-20-22-23-24)9-16(11)21-15-7-5-14-13(15)6-8-17(25-2)18(14)19/h3-4,6,8-10,15,21H,5,7H2,1-2H3.
What are the key properties of 4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine?
4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 339.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 131961730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).