N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine

C12H17N5O2 — CID 62736103

IUPACN-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H17N5O2/c1-4-13-8-12-14-15-16-17(12)9-5-10(18-2)7-11(6-9)19-3/h5-7,13H,4,8H2,1-3H3
InChIKeyNQGYFEARTAOAQD-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.79
Rot. Bonds6

About N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62736103) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62736103
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H17N5O2/c1-4-13-8-12-14-15-16-17(12)9-5-10(18-2)7-11(6-9)19-3/h5-7,13H,4,8H2,1-3H3
InChIKeyNQGYFEARTAOAQD-UHFFFAOYSA-N
XLogP0.79
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736102
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
N-[[1-(3-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109096
N-[[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737780
N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736289
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 62763682
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736292
[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine
CID 82859823
N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62809896
N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 107646049
2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 859389

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine (CID 62736103) is N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1-c1cc(OC)cc(OC)c1.
What is the InChIKey of N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is NQGYFEARTAOAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-13-8-12-14-15-16-17(12)9-5-10(18-2)7-11(6-9)19-3/h5-7,13H,4,8H2,1-3H3.
What are the key properties of N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 263.30 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62736103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).