2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine

C10H13N5O — CID 83535370

IUPAC2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine
SMILESCOc1ccc(-c2nnn(CCN)n2)cc1
InChIInChI=1S/C10H13N5O/c1-16-9-4-2-8(3-5-9)10-12-14-15(13-10)7-6-11/h2-5H,6-7,11H2,1H3
InChIKeyFHPKDNRSYHKLSG-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.31
Rot. Bonds4

About 2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine

2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine (PubChem CID 83535370) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine
PubChem CID83535370
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine
SMILESCOc1ccc(-c2nnn(CCN)n2)cc1
InChIInChI=1S/C10H13N5O/c1-16-9-4-2-8(3-5-9)10-12-14-15(13-10)7-6-11/h2-5H,6-7,11H2,1H3
InChIKeyFHPKDNRSYHKLSG-UHFFFAOYSA-N
XLogP0.31
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
5-(4-Methoxyphenyl)-2H-tetrazole
CID 307902
3-(4-Methoxyphenyl)-1,2,4,5-tetrazine
CID 824652
2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
4-(2-Methyl-2H-tetrazol-5-yl)phenol
CID 135648956
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
2-(2-Fluoro-benzyl)-5-(4-methoxy-phenyl)-2H-tetrazole
CID 573142
[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]acetonitrile
CID 605082
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
5-(4-butoxyphenyl)-2H-tetrazole
CID 3718258
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
(E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 137473315

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine (CID 83535370) is 2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine is COc1ccc(-c2nnn(CCN)n2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine?
The InChIKey is FHPKDNRSYHKLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-16-9-4-2-8(3-5-9)10-12-14-15(13-10)7-6-11/h2-5H,6-7,11H2,1H3.
What are the key properties of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine?
2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine has a molecular weight of 219.25 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine is sourced from PubChem (CID 83535370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).