4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol

C15H15N5O — CID 63325066

IUPAC4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol
SMILESCc1ccc(O)c(CNc2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C15H15N5O/c1-10-5-6-14(21)12(7-10)9-16-13-4-2-3-11(8-13)15-17-19-20-18-15/h2-8,16,21H,9H2,1H3,(H,17,18,19,20)
InChIKeyQTVCIJHPILYLBJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.49
Rot. Bonds4

About 4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol

4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol (PubChem CID 63325066) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol
PubChem CID63325066
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol
SMILESCc1ccc(O)c(CNc2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C15H15N5O/c1-10-5-6-14(21)12(7-10)9-16-13-4-2-3-11(8-13)15-17-19-20-18-15/h2-8,16,21H,9H2,1H3,(H,17,18,19,20)
InChIKeyQTVCIJHPILYLBJ-UHFFFAOYSA-N
XLogP2.49
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]-N,N-dimethyl-2-oxoethanesulfonamide;1-[3-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]-2-methoxyethanone;1-[3-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]-2-methylsulfonylethanone;4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol
CID 167673045
2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
N-[(4-bromo-3-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 66474413
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
N-[(1-methylpyrrol-2-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 62133138
N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline
CID 43732044
3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
CID 43732043
4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol
CID 63323664
2-[(3-ethynylanilino)methyl]-4-methylphenol
CID 63322524
2-[(3-methylanilino)methyl]benzene-1,4-diol
CID 82681028
N-[(4,5-dibromofuran-2-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 62084486
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 115879496

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol (CID 63325066) is 4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol is Cc1ccc(O)c(CNc2cccc(-c3nn[nH]n3)c2)c1.
What is the InChIKey of 4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol?
The InChIKey is QTVCIJHPILYLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-5-6-14(21)12(7-10)9-16-13-4-2-3-11(8-13)15-17-19-20-18-15/h2-8,16,21H,9H2,1H3,(H,17,18,19,20).
What are the key properties of 4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol?
4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol has a molecular weight of 281.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol is sourced from PubChem (CID 63325066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).