4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine

C13H19N5O — CID 84758975

IUPAC4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine
SMILESCOc1ccccc1Cc1nnnn1CCCCN
InChIInChI=1S/C13H19N5O/c1-19-12-7-3-2-6-11(12)10-13-15-16-17-18(13)9-5-4-8-14/h2-3,6-7H,4-5,8-10,14H2,1H3
InChIKeyVWEITELUZOGEHG-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.01
Rot. Bonds7

About 4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine

4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine (PubChem CID 84758975) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine
PubChem CID84758975
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine
SMILESCOc1ccccc1Cc1nnnn1CCCCN
InChIInChI=1S/C13H19N5O/c1-19-12-7-3-2-6-11(12)10-13-15-16-17-18(13)9-5-4-8-14/h2-3,6-7H,4-5,8-10,14H2,1H3
InChIKeyVWEITELUZOGEHG-UHFFFAOYSA-N
XLogP1.01
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182253
4-[5-[(2,3-dimethylphenoxy)methyl]tetrazol-1-yl]butan-1-amine
CID 84759019
4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956
2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
CID 66042380
4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine
CID 114182228
2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine
CID 84758899
(1-butyltetrazol-5-yl)methyl 2-(2-benzylphenoxy)acetate
CID 55390176
(1-butyltetrazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55392997
2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662808
4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182255
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid
CID 66047470
3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine
CID 115534182

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine (CID 84758975) is 4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine is COc1ccccc1Cc1nnnn1CCCCN.
What is the InChIKey of 4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine?
The InChIKey is VWEITELUZOGEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-19-12-7-3-2-6-11(12)10-13-15-16-17-18(13)9-5-4-8-14/h2-3,6-7H,4-5,8-10,14H2,1H3.
What are the key properties of 4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine?
4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 84758975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).