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

C11H14ClN5O2 — CID 62737936

IUPAC1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C11H14ClN5O2/c1-13-6-11-14-15-16-17(11)8-5-9(18-2)7(12)4-10(8)19-3/h4-5,13H,6H2,1-3H3
InChIKeyWUNXYKOMOVLBRG-UHFFFAOYSA-N
MW283.72 g/mol
LogP1.05
Rot. Bonds5

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

1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine (PubChem CID 62737936) has the molecular formula C11H14ClN5O2 and a molecular weight of 283.72 g/mol. Its IUPAC name is 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
PubChem CID62737936
Molecular FormulaC11H14ClN5O2
Molecular Weight283.72 g/mol
Exact Mass283.08
IUPAC Name1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C11H14ClN5O2/c1-13-6-11-14-15-16-17(11)8-5-9(18-2)7(12)4-10(8)19-3/h4-5,13H,6H2,1-3H3
InChIKeyWUNXYKOMOVLBRG-UHFFFAOYSA-N
XLogP1.05
TPSA74.09 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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736289
2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine
CID 82227998
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736292
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084830
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737014
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736102
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
4-(5-benzyltetrazol-1-yl)-2,5-dimethoxyaniline
CID 23019981
N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737204
[1-(4-chloro-2,5-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanol
CID 82197279
N-[[1-(2-methoxy-4-nitrophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62881535
N-[[1-(2-chloro-5-methoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761535

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine (CID 62737936) is 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine is CNCc1nnnn1-c1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is WUNXYKOMOVLBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2/c1-13-6-11-14-15-16-17(11)8-5-9(18-2)7(12)4-10(8)19-3/h4-5,13H,6H2,1-3H3.
What are the key properties of 1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine?
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 283.72 g/mol, XLogP of 1.05, 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-methylmethanamine is sourced from PubChem (CID 62737936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).