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

C18H20BrN5O2 — CID 66544536

IUPACN-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cc(OC)c(OCc2ccccc2)cc1Br
InChIInChI=1S/C18H20BrN5O2/c1-3-24-18(21-22-23-24)20-11-14-9-16(25-2)17(10-15(14)19)26-12-13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3,(H,20,21,23)
InChIKeyXPOCSKRQZPIPAS-UHFFFAOYSA-N
MW418.30 g/mol
LogP3.66
Rot. Bonds8

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

N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine (PubChem CID 66544536) has the molecular formula C18H20BrN5O2 and a molecular weight of 418.30 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
PubChem CID66544536
Molecular FormulaC18H20BrN5O2
Molecular Weight418.30 g/mol
Exact Mass417.08
IUPAC NameN-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cc(OC)c(OCc2ccccc2)cc1Br
InChIInChI=1S/C18H20BrN5O2/c1-3-24-18(21-22-23-24)20-11-14-9-16(25-2)17(10-15(14)19)26-12-13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3,(H,20,21,23)
InChIKeyXPOCSKRQZPIPAS-UHFFFAOYSA-N
XLogP3.66
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66545060
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66543215
N-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66542061
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66544816
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66542866
N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66540391
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66543195
1-ethyl-N-[(4-phenylmethoxyphenyl)methyl]tetrazol-5-amine
CID 4727455
N-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-butyltetrazol-5-amine
CID 66542108
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-butyltetrazol-5-amine
CID 4725663
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 4727502
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 66542960

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine?
The IUPAC name of N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine (CID 66544536) is N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine.
What is the SMILES notation for N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine?
The canonical SMILES for N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine is CCn1nnnc1NCc1cc(OC)c(OCc2ccccc2)cc1Br.
What is the InChIKey of N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine?
The InChIKey is XPOCSKRQZPIPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O2/c1-3-24-18(21-22-23-24)20-11-14-9-16(25-2)17(10-15(14)19)26-12-13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3,(H,20,21,23).
What are the key properties of N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine?
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine has a molecular weight of 418.30 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine is sourced from PubChem (CID 66544536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).