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

C11H14ClN5O2 — CID 82227998

IUPAC2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine
SMILESCOc1cc(-n2nnnc2CCN)c(OC)cc1Cl
InChIInChI=1S/C11H14ClN5O2/c1-18-9-6-8(10(19-2)5-7(9)12)17-11(3-4-13)14-15-16-17/h5-6H,3-4,13H2,1-2H3
InChIKeyVAAZIVGTTCMWLC-UHFFFAOYSA-N
MW283.72 g/mol
LogP0.83
Rot. Bonds5

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

2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine (PubChem CID 82227998) has the molecular formula C11H14ClN5O2 and a molecular weight of 283.72 g/mol. Its IUPAC name is 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine
PubChem CID82227998
Molecular FormulaC11H14ClN5O2
Molecular Weight283.72 g/mol
Exact Mass283.08
IUPAC Name2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine
SMILESCOc1cc(-n2nnnc2CCN)c(OC)cc1Cl
InChIInChI=1S/C11H14ClN5O2/c1-18-9-6-8(10(19-2)5-7(9)12)17-11(3-4-13)14-15-16-17/h5-6H,3-4,13H2,1-2H3
InChIKeyVAAZIVGTTCMWLC-UHFFFAOYSA-N
XLogP0.83
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737936
2-[3-(4-chloro-2,5-dimethoxyphenyl)triazol-4-yl]ethanamine
CID 82197289
N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736289
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084830
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736292
[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
CID 62737585
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine
CID 62737017
4-(5-benzyltetrazol-1-yl)-2,5-dimethoxyaniline
CID 23019981
1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxylic acid
CID 82200947
[1-(4-chloro-2,5-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanol
CID 82197279
2-[4-(3-chloro-4-methoxyphenyl)-5-(chloromethyl)-1,2,4-triazol-3-yl]ethanamine
CID 83968020

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine (CID 82227998) is 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine is COc1cc(-n2nnnc2CCN)c(OC)cc1Cl.
What is the InChIKey of 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine?
The InChIKey is VAAZIVGTTCMWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2/c1-18-9-6-8(10(19-2)5-7(9)12)17-11(3-4-13)14-15-16-17/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine?
2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine has a molecular weight of 283.72 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 82227998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).