N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine

C11H14BrN5O2 — CID 66543142

IUPACN-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCCOc1cc(Br)c(CNc2nn[nH]n2)cc1OC
InChIInChI=1S/C11H14BrN5O2/c1-3-19-10-5-8(12)7(4-9(10)18-2)6-13-11-14-16-17-15-11/h4-5H,3,6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyJFFRMVZFNHSRQK-UHFFFAOYSA-N
MW328.17 g/mol
LogP1.98
Rot. Bonds6

About N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 66543142) has the molecular formula C11H14BrN5O2 and a molecular weight of 328.17 g/mol. Its IUPAC name is N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID66543142
Molecular FormulaC11H14BrN5O2
Molecular Weight328.17 g/mol
Exact Mass327.03
IUPAC NameN-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCCOc1cc(Br)c(CNc2nn[nH]n2)cc1OC
InChIInChI=1S/C11H14BrN5O2/c1-3-19-10-5-8(12)7(4-9(10)18-2)6-13-11-14-16-17-15-11/h4-5H,3,6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyJFFRMVZFNHSRQK-UHFFFAOYSA-N
XLogP1.98
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 66541905
2-[5-bromo-2-methoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 66544445
N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4726696
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542076
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542280
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4725454
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542157
4-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylamino]phenol
CID 66541244
2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 66535713
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
N-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 66534133
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66535683

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 66543142) is N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine is CCOc1cc(Br)c(CNc2nn[nH]n2)cc1OC.
What is the InChIKey of N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is JFFRMVZFNHSRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O2/c1-3-19-10-5-8(12)7(4-9(10)18-2)6-13-11-14-16-17-15-11/h4-5H,3,6H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 328.17 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 66543142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).