N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine

C13H18BrN5O2 — CID 66543735

IUPACN-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1ccc(Br)c(CNc2nnnn2C)c1OC(C)C
InChIInChI=1S/C13H18BrN5O2/c1-8(2)21-12-9(10(14)5-6-11(12)20-4)7-15-13-16-17-18-19(13)3/h5-6,8H,7H2,1-4H3,(H,15,16,18)
InChIKeyFMFNOHAEGXRNQI-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.38
Rot. Bonds6

About N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine

N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 66543735) has the molecular formula C13H18BrN5O2 and a molecular weight of 356.22 g/mol. Its IUPAC name is N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID66543735
Molecular FormulaC13H18BrN5O2
Molecular Weight356.22 g/mol
Exact Mass355.06
IUPAC NameN-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1ccc(Br)c(CNc2nnnn2C)c1OC(C)C
InChIInChI=1S/C13H18BrN5O2/c1-8(2)21-12-9(10(14)5-6-11(12)20-4)7-15-13-16-17-18-19(13)3/h5-6,8H,7H2,1-4H3,(H,15,16,18)
InChIKeyFMFNOHAEGXRNQI-UHFFFAOYSA-N
XLogP2.38
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine (CID 66543735) is N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine is COc1ccc(Br)c(CNc2nnnn2C)c1OC(C)C.
What is the InChIKey of N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is FMFNOHAEGXRNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O2/c1-8(2)21-12-9(10(14)5-6-11(12)20-4)7-15-13-16-17-18-19(13)3/h5-6,8H,7H2,1-4H3,(H,15,16,18).
What are the key properties of N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine?
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 356.22 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 66543735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).