N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine

C17H16BrCl2N5O2 — CID 66543193

IUPACN-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
SMILESCOc1cc(CNc2nnnn2C)c(Br)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16BrCl2N5O2/c1-25-17(22-23-24-25)21-8-10-6-15(26-2)16(7-12(10)18)27-9-11-13(19)4-3-5-14(11)20/h3-7H,8-9H2,1-2H3,(H,21,22,24)
InChIKeyGBZYTBNOVJUVPO-UHFFFAOYSA-N
MW473.16 g/mol
LogP4.48
Rot. Bonds7

About N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine

N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine (PubChem CID 66543193) has the molecular formula C17H16BrCl2N5O2 and a molecular weight of 473.16 g/mol. Its IUPAC name is N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
PubChem CID66543193
Molecular FormulaC17H16BrCl2N5O2
Molecular Weight473.16 g/mol
Exact Mass470.99
IUPAC NameN-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
SMILESCOc1cc(CNc2nnnn2C)c(Br)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16BrCl2N5O2/c1-25-17(22-23-24-25)21-8-10-6-15(26-2)16(7-12(10)18)27-9-11-13(19)4-3-5-14(11)20/h3-7H,8-9H2,1-2H3,(H,21,22,24)
InChIKeyGBZYTBNOVJUVPO-UHFFFAOYSA-N
XLogP4.48
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.16
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66543195
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 66543214
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 66534882
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 66542807
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dichloroaniline
CID 66542887
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543863
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66540383
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]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66534839
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66542866
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66544536
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-chloro-4-piperidin-1-ylaniline
CID 66543276

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine (CID 66543193) is N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine is COc1cc(CNc2nnnn2C)c(Br)cc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine?
The InChIKey is GBZYTBNOVJUVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrCl2N5O2/c1-25-17(22-23-24-25)21-8-10-6-15(26-2)16(7-12(10)18)27-9-11-13(19)4-3-5-14(11)20/h3-7H,8-9H2,1-2H3,(H,21,22,24).
What are the key properties of N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine?
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine has a molecular weight of 473.16 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 66543193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).