N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine

C13H18BrN5O2 — CID 66542807

IUPACN-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCCCOc1cc(Br)c(CNc2nnnn2C)cc1OC
InChIInChI=1S/C13H18BrN5O2/c1-4-5-21-12-7-10(14)9(6-11(12)20-3)8-15-13-16-17-18-19(13)2/h6-7H,4-5,8H2,1-3H3,(H,15,16,18)
InChIKeyQOSBPZIUWVEGNR-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.38
Rot. Bonds7

About N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine

N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 66542807) has the molecular formula C13H18BrN5O2 and a molecular weight of 356.22 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID66542807
Molecular FormulaC13H18BrN5O2
Molecular Weight356.22 g/mol
Exact Mass355.06
IUPAC NameN-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCCCOc1cc(Br)c(CNc2nnnn2C)cc1OC
InChIInChI=1S/C13H18BrN5O2/c1-4-5-21-12-7-10(14)9(6-11(12)20-3)8-15-13-16-17-18-19(13)2/h6-7H,4-5,8H2,1-3H3,(H,15,16,18)
InChIKeyQOSBPZIUWVEGNR-UHFFFAOYSA-N
XLogP2.38
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
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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Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 66543214
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543193
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-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66543195
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66544536
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66545060
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66540383
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine
CID 66535507
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66538759
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66543142

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine (CID 66542807) is N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine is CCCOc1cc(Br)c(CNc2nnnn2C)cc1OC.
What is the InChIKey of N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is QOSBPZIUWVEGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O2/c1-4-5-21-12-7-10(14)9(6-11(12)20-3)8-15-13-16-17-18-19(13)2/h6-7H,4-5,8H2,1-3H3,(H,15,16,18).
What are the key properties of N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine?
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 356.22 g/mol, XLogP of 2.38, 7 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-propoxyphenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 66542807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).