N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine

C19H16FN5O — CID 834197

IUPACN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine
SMILESFc1ccc(COc2ccc3ccccc3c2CNc2nn[nH]n2)cc1
InChIInChI=1S/C19H16FN5O/c20-15-8-5-13(6-9-15)12-26-18-10-7-14-3-1-2-4-16(14)17(18)11-21-19-22-24-25-23-19/h1-10H,11-12H2,(H2,21,22,23,24,25)
InChIKeyLYKFBTUJYPLKCA-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.68
Rot. Bonds6

About N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine

N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine (PubChem CID 834197) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine
PubChem CID834197
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine
SMILESFc1ccc(COc2ccc3ccccc3c2CNc2nn[nH]n2)cc1
InChIInChI=1S/C19H16FN5O/c20-15-8-5-13(6-9-15)12-26-18-10-7-14-3-1-2-4-16(14)17(18)11-21-19-22-24-25-23-19/h1-10H,11-12H2,(H2,21,22,23,24,25)
InChIKeyLYKFBTUJYPLKCA-UHFFFAOYSA-N
XLogP3.68
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine
CID 834196
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline
CID 126119075
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methanol
CID 964391
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-3-methylbutan-1-amine
CID 17210543
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl carbamate
CID 175568006
1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene
CID 171486262
1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17293230
N',N'-diethyl-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 17215108
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156022
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine
CID 17058803
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66543392

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine (CID 834197) is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine is Fc1ccc(COc2ccc3ccccc3c2CNc2nn[nH]n2)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine?
The InChIKey is LYKFBTUJYPLKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-15-8-5-13(6-9-15)12-26-18-10-7-14-3-1-2-4-16(14)17(18)11-21-19-22-24-25-23-19/h1-10H,11-12H2,(H2,21,22,23,24,25).
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine?
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine has a molecular weight of 349.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 834197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).