N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium

C17H23Cl2N2OTi- — CID 164748193

IUPACN-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium
SMILESCc1ccccc1-c1cccc(N(O)C(C)(C)C)n1.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C16H20N2O.CH3.2ClH.Ti/c1-12-8-5-6-9-13(12)14-10-7-11-15(17-14)18(19)16(2,3)4;;;;/h5-11,19H,1-4H3;1H3;2*1H;/q;-1;;;+2/p-2
InChIKeyXXJFVPAGOHGDST-UHFFFAOYSA-L
MW390.16 g/mol
LogP5.88
Rot. Bonds2

About N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium

N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium (PubChem CID 164748193) has the molecular formula C17H23Cl2N2OTi- and a molecular weight of 390.16 g/mol. Its IUPAC name is N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium.

Molecular Properties

Compound NameN-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium
PubChem CID164748193
Molecular FormulaC17H23Cl2N2OTi-
Molecular Weight390.16 g/mol
Exact Mass389.07
IUPAC NameN-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium
SMILESCc1ccccc1-c1cccc(N(O)C(C)(C)C)n1.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C16H20N2O.CH3.2ClH.Ti/c1-12-8-5-6-9-13(12)14-10-7-11-15(17-14)18(19)16(2,3)4;;;;/h5-11,19H,1-4H3;1H3;2*1H;/q;-1;;;+2/p-2
InChIKeyXXJFVPAGOHGDST-UHFFFAOYSA-L
XLogP5.88
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.16
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dimethylphenyl)-6-(2-methylphenyl)pyridine
CID 123263739
carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine)
CID 160560368
2-(2-bromophenyl)-6-(2-methylphenyl)pyridine
CID 166649575
6-(2-methylphenyl)-N-[6-(2-methylphenyl)-2-pyridinyl]pyridin-2-amine
CID 71110099
2-(2-methylphenyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 91414907
[6-(2-methylphenyl)-2-pyridinyl]methanamine
CID 82505844
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966687
2-(2-methylphenyl)pyridine
CID 144596153
3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline
CID 58234805
6-(2-methylphenyl)pyridine-2-carbonitrile
CID 55265377
(1R)-2-(tert-butylamino)-1-[6-(2-methylphenyl)-2-pyridinyl]ethanol
CID 155154266
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium?
The IUPAC name of N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium (CID 164748193) is N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium.
What is the SMILES notation for N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium?
The canonical SMILES for N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium is Cc1ccccc1-c1cccc(N(O)C(C)(C)C)n1.Cl[Ti]Cl.[CH3-].
What is the InChIKey of N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium?
The InChIKey is XXJFVPAGOHGDST-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H20N2O.CH3.2ClH.Ti/c1-12-8-5-6-9-13(12)14-10-7-11-15(17-14)18(19)16(2,3)4;;;;/h5-11,19H,1-4H3;1H3;2*1H;/q;-1;;;+2/p-2.
What are the key properties of N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium?
N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium has a molecular weight of 390.16 g/mol, XLogP of 5.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium is sourced from PubChem (CID 164748193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).