1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine

C17H17Cl2N5O2 — CID 3671463

IUPAC1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1ccc(OC)cc1
InChIInChI=1S/C17H17Cl2N5O2/c1-20-15(13-8-10(18)9-14(19)16(13)26-3)17-21-22-23-24(17)11-4-6-12(25-2)7-5-11/h4-9,15,20H,1-3H3
InChIKeyLGIAJUAGMJXRGH-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.30
Rot. Bonds6

About 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine

1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine (PubChem CID 3671463) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
PubChem CID3671463
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC Name1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1ccc(OC)cc1
InChIInChI=1S/C17H17Cl2N5O2/c1-20-15(13-8-10(18)9-14(19)16(13)26-3)17-21-22-23-24(17)11-4-6-12(25-2)7-5-11/h4-9,15,20H,1-3H3
InChIKeyLGIAJUAGMJXRGH-UHFFFAOYSA-N
XLogP3.30
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine (CID 3671463) is 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine is CNC(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1ccc(OC)cc1.
What is the InChIKey of 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is LGIAJUAGMJXRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c1-20-15(13-8-10(18)9-14(19)16(13)26-3)17-21-22-23-24(17)11-4-6-12(25-2)7-5-11/h4-9,15,20H,1-3H3.
What are the key properties of 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine?
1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 394.26 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 3671463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).