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

C21H25Cl2N5O — CID 4537344

IUPACN-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)C(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C21H25Cl2N5O/c1-6-27(7-2)19(16-11-15(22)12-17(23)20(16)29-5)21-24-25-26-28(21)18-13(3)9-8-10-14(18)4/h8-12,19H,6-7H2,1-5H3
InChIKeyPMVCWFOFGFMVDG-UHFFFAOYSA-N
MW434.37 g/mol
LogP5.03
Rot. Bonds7

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

N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine (PubChem CID 4537344) has the molecular formula C21H25Cl2N5O and a molecular weight of 434.37 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine
PubChem CID4537344
Molecular FormulaC21H25Cl2N5O
Molecular Weight434.37 g/mol
Exact Mass433.14
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)C(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C21H25Cl2N5O/c1-6-27(7-2)19(16-11-15(22)12-17(23)20(16)29-5)21-24-25-26-28(21)18-13(3)9-8-10-14(18)4/h8-12,19H,6-7H2,1-5H3
InChIKeyPMVCWFOFGFMVDG-UHFFFAOYSA-N
XLogP5.03
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(R)-(1-benzhydryltetrazol-5-yl)-(3,5-dichloro-2-methoxyphenyl)methyl]piperidine
CID 9540496
1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
CID 55857084
(3,5-dichloro-2-methoxyphenyl)-N-methyl[1-(3-methylphenyl)-1H-tetraazol-5-yl]methanamine
CID 3109941
N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide
CID 3109943
N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2-methylphenyl)tetrazol-5-yl]methyl]-N-methylformamide
CID 3109945
(2S,3S)-N-[[3-chloro-2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 22880683
1-[(3,5-Dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine
CID 3109935
1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 3109942
N-{(3,5-dichloro-2-methoxyphenyl)[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]methyl}-2-methoxy-N-methylacetamide
CID 3109944
1-Benzhydryl-5-[(3,5-dichloro-2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 3109947
N-{(3,5-dichloro-2-methoxyphenyl)[1-(3-methylphenyl)-1H-tetraazol-5-yl]methyl}ethanamine
CID 3644624
1-(3,5-dichloro-2-methoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 3671463

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine (CID 4537344) is N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine is CCN(CC)C(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C.
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine?
The InChIKey is PMVCWFOFGFMVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N5O/c1-6-27(7-2)19(16-11-15(22)12-17(23)20(16)29-5)21-24-25-26-28(21)18-13(3)9-8-10-14(18)4/h8-12,19H,6-7H2,1-5H3.
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine?
N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine has a molecular weight of 434.37 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 4537344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).