2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline

C19H23N5O — CID 50812616

IUPAC2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline
SMILESCCC(C)(Nc1ccccc1OC)c1nnnn1-c1ccccc1C
InChIInChI=1S/C19H23N5O/c1-5-19(3,20-15-11-7-9-13-17(15)25-4)18-21-22-23-24(18)16-12-8-6-10-14(16)2/h6-13,20H,5H2,1-4H3
InChIKeyXYLUBGODBZZPJX-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.72
Rot. Bonds6

About 2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline

2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline (PubChem CID 50812616) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline
PubChem CID50812616
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline
SMILESCCC(C)(Nc1ccccc1OC)c1nnnn1-c1ccccc1C
InChIInChI=1S/C19H23N5O/c1-5-19(3,20-15-11-7-9-13-17(15)25-4)18-21-22-23-24(18)16-12-8-6-10-14(16)2/h6-13,20H,5H2,1-4H3
InChIKeyXYLUBGODBZZPJX-UHFFFAOYSA-N
XLogP3.72
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline?
The IUPAC name of 2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline (CID 50812616) is 2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline.
What is the SMILES notation for 2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline?
The canonical SMILES for 2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline is CCC(C)(Nc1ccccc1OC)c1nnnn1-c1ccccc1C.
What is the InChIKey of 2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline?
The InChIKey is XYLUBGODBZZPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-19(3,20-15-11-7-9-13-17(15)25-4)18-21-22-23-24(18)16-12-8-6-10-14(16)2/h6-13,20H,5H2,1-4H3.
What are the key properties of 2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline?
2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline has a molecular weight of 337.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline is sourced from PubChem (CID 50812616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).