2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol

C13H19N5O — CID 65338078

IUPAC2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol
SMILESCc1ccc(-n2cnnn2)cc1NC(C)C(C)(C)O
InChIInChI=1S/C13H19N5O/c1-9-5-6-11(18-8-14-16-17-18)7-12(9)15-10(2)13(3,4)19/h5-8,10,15,19H,1-4H3
InChIKeySHEOYMPDQHEFIL-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.54
Rot. Bonds4

About 2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol

2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol (PubChem CID 65338078) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol
PubChem CID65338078
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol
SMILESCc1ccc(-n2cnnn2)cc1NC(C)C(C)(C)O
InChIInChI=1S/C13H19N5O/c1-9-5-6-11(18-8-14-16-17-18)7-12(9)15-10(2)13(3,4)19/h5-8,10,15,19H,1-4H3
InChIKeySHEOYMPDQHEFIL-UHFFFAOYSA-N
XLogP1.54
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338038
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087
N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 103936260
2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60972786
N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 104584103
2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline
CID 43700067
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 63946708
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine
CID 103388349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol?
The IUPAC name of 2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol (CID 65338078) is 2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol is Cc1ccc(-n2cnnn2)cc1NC(C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol?
The InChIKey is SHEOYMPDQHEFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-5-6-11(18-8-14-16-17-18)7-12(9)15-10(2)13(3,4)19/h5-8,10,15,19H,1-4H3.
What are the key properties of 2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol?
2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol has a molecular weight of 261.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol is sourced from PubChem (CID 65338078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).