N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine

C13H19N5O2 — CID 62737204

IUPACN-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCOc1ccc(-n2nnnc2CNC(C)C)c(OC)c1
InChIInChI=1S/C13H19N5O2/c1-9(2)14-8-13-15-16-17-18(13)11-6-5-10(19-3)7-12(11)20-4/h5-7,9,14H,8H2,1-4H3
InChIKeyYUHORCBLXZTBGC-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.18
Rot. Bonds6

About N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine

N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 62737204) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID62737204
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCOc1ccc(-n2nnnc2CNC(C)C)c(OC)c1
InChIInChI=1S/C13H19N5O2/c1-9(2)14-8-13-15-16-17-18(13)11-6-5-10(19-3)7-12(11)20-4/h5-7,9,14H,8H2,1-4H3
InChIKeyYUHORCBLXZTBGC-UHFFFAOYSA-N
XLogP1.18
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(2-chloro-5-methoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761535
[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine
CID 62737017
N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
CID 63362886
N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 82527870
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 55109238
5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole
CID 43134747
N-[[1-(3-bromo-2-methylphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 107639406
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-2-amine
CID 66475670
N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 107603620
N-[[1-(2-chloro-5-methoxyphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62761180
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737936
N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737561

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine (CID 62737204) is N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine is COc1ccc(-n2nnnc2CNC(C)C)c(OC)c1.
What is the InChIKey of N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is YUHORCBLXZTBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9(2)14-8-13-15-16-17-18(13)11-6-5-10(19-3)7-12(11)20-4/h5-7,9,14H,8H2,1-4H3.
What are the key properties of N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 277.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62737204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).