1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine

C12H17N5O — CID 66242844

IUPAC1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1C(C)c1ccc(OC)cc1
InChIInChI=1S/C12H17N5O/c1-9(10-4-6-11(18-3)7-5-10)17-12(8-13-2)14-15-16-17/h4-7,9,13H,8H2,1-3H3
InChIKeyRQGGHISYZDWETA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.01
Rot. Bonds5

About 1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine

1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine (PubChem CID 66242844) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine
PubChem CID66242844
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1C(C)c1ccc(OC)cc1
InChIInChI=1S/C12H17N5O/c1-9(10-4-6-11(18-3)7-5-10)17-12(8-13-2)14-15-16-17/h4-7,9,13H,8H2,1-3H3
InChIKeyRQGGHISYZDWETA-UHFFFAOYSA-N
XLogP1.01
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62762591
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736102
N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine
CID 62763660
3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 81016213
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
CID 112518555
2-[5-[2-(4-methoxyphenyl)ethyl]tetrazol-1-yl]propanoic acid
CID 66041777
N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine
CID 3874653
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056
N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 62763303
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042566
1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737573

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine (CID 66242844) is 1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine is CNCc1nnnn1C(C)c1ccc(OC)cc1.
What is the InChIKey of 1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is RQGGHISYZDWETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(10-4-6-11(18-3)7-5-10)17-12(8-13-2)14-15-16-17/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine?
1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 66242844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).