N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine

C15H14FN5O — CID 964536

IUPACN-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESFc1ccc(COc2cccc(CNc3nn[nH]n3)c2)cc1
InChIInChI=1S/C15H14FN5O/c16-13-6-4-11(5-7-13)10-22-14-3-1-2-12(8-14)9-17-15-18-20-21-19-15/h1-8H,9-10H2,(H2,17,18,19,20,21)
InChIKeyBGRJBIBMSAFVKX-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.53
Rot. Bonds6

About N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine

N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 964536) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
PubChem CID964536
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC NameN-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESFc1ccc(COc2cccc(CNc3nn[nH]n3)c2)cc1
InChIInChI=1S/C15H14FN5O/c16-13-6-4-11(5-7-13)10-22-14-3-1-2-12(8-14)9-17-15-18-20-21-19-15/h1-8H,9-10H2,(H2,17,18,19,20,21)
InChIKeyBGRJBIBMSAFVKX-UHFFFAOYSA-N
XLogP2.53
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725753
N-[(3-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725757
N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine
CID 833835
N-({2-[(2-fluorobenzyl)oxy]-1-naphthyl}methyl)-2H-tetrazol-5-amine
CID 834196
N-({2-[(4-fluorobenzyl)oxy]naphthalen-1-yl}methyl)-2H-tetrazol-5-amine
CID 834197
N-[2-(benzyloxy)benzyl]-1H-tetrazol-5-amine
CID 4727170
(4-Allyloxy-benzyl)-(2H-tetrazol-5-yl)-amine
CID 655020
o-veratryl(2H-tetrazol-5-yl)amine
CID 834328
N-{2-[(4-fluorobenzyl)oxy]benzyl}-1-propyl-1H-tetrazol-5-amine
CID 1249569
(4-Allyloxy-3-methoxy-benzyl)-(2H-tetrazol-5-yl)-amine
CID 2219224
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4727681
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 964526

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine (CID 964536) is N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine is Fc1ccc(COc2cccc(CNc3nn[nH]n3)c2)cc1.
What is the InChIKey of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is BGRJBIBMSAFVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-13-6-4-11(5-7-13)10-22-14-3-1-2-12(8-14)9-17-15-18-20-21-19-15/h1-8H,9-10H2,(H2,17,18,19,20,21).
What are the key properties of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine has a molecular weight of 299.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 964536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).