1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine

C12H16ClN5O2 — CID 103084830

IUPAC1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nnnn1-c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C12H16ClN5O2/c1-7(14-2)12-15-16-17-18(12)9-6-10(19-3)8(13)5-11(9)20-4/h5-7,14H,1-4H3
InChIKeyIFHVUCMXMLCUAE-UHFFFAOYSA-N
MW297.75 g/mol
LogP1.61
Rot. Bonds5

About 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine

1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine (PubChem CID 103084830) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
PubChem CID103084830
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC Name1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nnnn1-c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C12H16ClN5O2/c1-7(14-2)12-15-16-17-18(12)9-6-10(19-3)8(13)5-11(9)20-4/h5-7,14H,1-4H3
InChIKeyIFHVUCMXMLCUAE-UHFFFAOYSA-N
XLogP1.61
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085140
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737936
2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine
CID 82227998
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103085062
1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine
CID 103086024
N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 107623260
N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084956
1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine
CID 43486339
1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
CID 103293419
N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736289
1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084941
1-[1-(5-bromo-2-iodophenyl)tetrazol-5-yl]-N-methylethanamine
CID 114261284

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine (CID 103084830) is 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine is CNC(C)c1nnnn1-c1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine?
The InChIKey is IFHVUCMXMLCUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-7(14-2)12-15-16-17-18(12)9-6-10(19-3)8(13)5-11(9)20-4/h5-7,14H,1-4H3.
What are the key properties of 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine?
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine has a molecular weight of 297.75 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 103084830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).