N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine

C18H19BrFN5O2 — CID 66545060

IUPACN-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cc(OC)c(OCc2ccc(F)cc2)cc1Br
InChIInChI=1S/C18H19BrFN5O2/c1-3-25-18(22-23-24-25)21-10-13-8-16(26-2)17(9-15(13)19)27-11-12-4-6-14(20)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,21,22,24)
InChIKeyJZNZSCJGCFKZIP-UHFFFAOYSA-N
MW436.29 g/mol
LogP3.79
Rot. Bonds8

About N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine

N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine (PubChem CID 66545060) has the molecular formula C18H19BrFN5O2 and a molecular weight of 436.29 g/mol. Its IUPAC name is N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
PubChem CID66545060
Molecular FormulaC18H19BrFN5O2
Molecular Weight436.29 g/mol
Exact Mass435.07
IUPAC NameN-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cc(OC)c(OCc2ccc(F)cc2)cc1Br
InChIInChI=1S/C18H19BrFN5O2/c1-3-25-18(22-23-24-25)21-10-13-8-16(26-2)17(9-15(13)19)27-11-12-4-6-14(20)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,21,22,24)
InChIKeyJZNZSCJGCFKZIP-UHFFFAOYSA-N
XLogP3.79
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66542061
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66544536
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66543215
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66544816
N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66540391
N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 66534161
N-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-butyltetrazol-5-amine
CID 66542108
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66543195
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66542866
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 4727502
N-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 66541905
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66544393

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
The IUPAC name of N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine (CID 66545060) is N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine.
What is the SMILES notation for N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
The canonical SMILES for N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine is CCn1nnnc1NCc1cc(OC)c(OCc2ccc(F)cc2)cc1Br.
What is the InChIKey of N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
The InChIKey is JZNZSCJGCFKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN5O2/c1-3-25-18(22-23-24-25)21-10-13-8-16(26-2)17(9-15(13)19)27-11-12-4-6-14(20)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,21,22,24).
What are the key properties of N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine has a molecular weight of 436.29 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine is sourced from PubChem (CID 66545060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).