3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline

C13H19N5O — CID 107042351

IUPAC3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCCC(C)Oc1cccc(NCc2nnn(C)n2)c1
InChIInChI=1S/C13H19N5O/c1-4-10(2)19-12-7-5-6-11(8-12)14-9-13-15-17-18(3)16-13/h5-8,10,14H,4,9H2,1-3H3
InChIKeyOAHROVPVEUHJAR-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.00
Rot. Bonds6

About 3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline

3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline (PubChem CID 107042351) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
PubChem CID107042351
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCCC(C)Oc1cccc(NCc2nnn(C)n2)c1
InChIInChI=1S/C13H19N5O/c1-4-10(2)19-12-7-5-6-11(8-12)14-9-13-15-17-18(3)16-13/h5-8,10,14H,4,9H2,1-3H3
InChIKeyOAHROVPVEUHJAR-UHFFFAOYSA-N
XLogP2.00
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682485
2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol
CID 66268122
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555712
3-butan-2-yloxy-N-[(4-chlorophenyl)methyl]aniline
CID 54802725
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62749146
6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79794177
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
2-[(3-butan-2-yloxyanilino)methyl]-6-chlorophenol
CID 115951671
3-butan-2-yloxy-N-[(5-chloro-2-fluorophenyl)methyl]aniline
CID 114842274

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The IUPAC name of 3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline (CID 107042351) is 3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The canonical SMILES for 3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline is CCC(C)Oc1cccc(NCc2nnn(C)n2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The InChIKey is OAHROVPVEUHJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-10(2)19-12-7-5-6-11(8-12)14-9-13-15-17-18(3)16-13/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of 3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline?
3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline has a molecular weight of 261.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 107042351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).