N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine

C18H20FN5O — CID 1249569

IUPACN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H20FN5O/c1-2-11-24-18(21-22-23-24)20-12-15-5-3-4-6-17(15)25-13-14-7-9-16(19)10-8-14/h3-10H,2,11-13H2,1H3,(H,20,21,23)
InChIKeyYQBKBCPOMSPMPN-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.41
Rot. Bonds8

About N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine

N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine (PubChem CID 1249569) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
PubChem CID1249569
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H20FN5O/c1-2-11-24-18(21-22-23-24)20-12-15-5-3-4-6-17(15)25-13-14-7-9-16(19)10-8-14/h3-10H,2,11-13H2,1H3,(H,20,21,23)
InChIKeyYQBKBCPOMSPMPN-UHFFFAOYSA-N
XLogP3.41
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725753
N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725808
N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727592
N-(2-ethoxy-3-methoxybenzyl)-1-methyl-1H-tetrazol-5-amine
CID 834552
1-ethyl-N-[(2-methoxy-1-naphthyl)methyl]-1H-tetrazol-5-amine
CID 834710
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 4725740
N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725752
7-(4-Ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 662134
7-(2-Ethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 4562813
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
CID 760178
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725748
N-[(3-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725757

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine (CID 1249569) is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine?
The InChIKey is YQBKBCPOMSPMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-2-11-24-18(21-22-23-24)20-12-15-5-3-4-6-17(15)25-13-14-7-9-16(19)10-8-14/h3-10H,2,11-13H2,1H3,(H,20,21,23).
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine?
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine has a molecular weight of 341.39 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 1249569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).