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

C18H19BrFN5O — CID 19644390

IUPACN-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)n1
InChIInChI=1S/C18H19BrFN5O/c1-2-9-25-23-18(22-24-25)21-11-14-10-15(19)5-8-17(14)26-12-13-3-6-16(20)7-4-13/h3-8,10H,2,9,11-12H2,1H3,(H,21,23)
InChIKeyRVRPGRPBYFOHRG-UHFFFAOYSA-N
MW420.29 g/mol
LogP4.18
Rot. Bonds8

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

N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine (PubChem CID 19644390) has the molecular formula C18H19BrFN5O and a molecular weight of 420.29 g/mol. Its IUPAC name is N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
PubChem CID19644390
Molecular FormulaC18H19BrFN5O
Molecular Weight420.29 g/mol
Exact Mass419.08
IUPAC NameN-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)n1
InChIInChI=1S/C18H19BrFN5O/c1-2-9-25-23-18(22-24-25)21-11-14-10-15(19)5-8-17(14)26-12-13-3-6-16(20)7-4-13/h3-8,10H,2,9,11-12H2,1H3,(H,21,23)
InChIKeyRVRPGRPBYFOHRG-UHFFFAOYSA-N
XLogP4.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 3158529
N-{5-bromo-2-[(2-fluorobenzyl)oxy]benzyl}-2-methyl-2H-tetrazol-5-amine
CID 1017082
N-{2-[(4-fluorobenzyl)oxy]benzyl}-1-propyl-1H-tetrazol-5-amine
CID 1249569
N-[2-(benzyloxy)-5-bromobenzyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
CID 15943348
N-{5-bromo-2-[(2-fluorobenzyl)oxy]benzyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
CID 15943349
3-N-[[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 155553798
N-(3,5-dibromo-2-methoxybenzyl)-2-ethyl-2H-tetrazol-5-amine
CID 39860663
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine
CID 1288305
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 964526
({2-[(2-Fluorophenyl)methoxy]phenyl}methyl)(1-propyl(1,2,3,4-tetraazol-5-yl))a mine
CID 4097796
7-[5-Bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine
CID 4172577
N-(3,5-dibromo-2-methoxybenzyl)-2-propyl-2H-tetrazol-5-amine
CID 39860706

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine?
The IUPAC name of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine (CID 19644390) is N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine.
What is the SMILES notation for N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine?
The canonical SMILES for N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine is CCCn1nnc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)n1.
What is the InChIKey of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine?
The InChIKey is RVRPGRPBYFOHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN5O/c1-2-9-25-23-18(22-24-25)21-11-14-10-15(19)5-8-17(14)26-12-13-3-6-16(20)7-4-13/h3-8,10H,2,9,11-12H2,1H3,(H,21,23).
What are the key properties of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine?
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine has a molecular weight of 420.29 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine is sourced from PubChem (CID 19644390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).