1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine

C18H19Cl2N5O — CID 3109942

IUPAC1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C18H19Cl2N5O/c1-10-6-5-7-11(2)16(10)25-18(22-23-24-25)15(21-3)13-8-12(19)9-14(20)17(13)26-4/h5-9,15,21H,1-4H3
InChIKeyXQBLXLQOOPFFCG-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.90
Rot. Bonds5

About 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine

1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine (PubChem CID 3109942) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine
PubChem CID3109942
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C18H19Cl2N5O/c1-10-6-5-7-11(2)16(10)25-18(22-23-24-25)15(21-3)13-8-12(19)9-14(20)17(13)26-4/h5-9,15,21H,1-4H3
InChIKeyXQBLXLQOOPFFCG-UHFFFAOYSA-N
XLogP3.90
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine (CID 3109942) is 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine is CNC(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C.
What is the InChIKey of 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is XQBLXLQOOPFFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-10-6-5-7-11(2)16(10)25-18(22-23-24-25)15(21-3)13-8-12(19)9-14(20)17(13)26-4/h5-9,15,21H,1-4H3.
What are the key properties of 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine?
1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 392.29 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 3109942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).