lithium 2-anilinoethyl(phenyl)azanide

C14H15LiN2 — CID 100968930

IUPAClithium 2-anilinoethyl(phenyl)azanide
SMILES[Li+].c1ccc([N-]CCNc2ccccc2)cc1
InChIInChI=1S/C14H15N2.Li/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;/q-1;+1
InChIKeyBJQGLZWJQBHOPR-UHFFFAOYSA-N
MW218.23 g/mol
LogP0.81
Rot. Bonds5

About lithium 2-anilinoethyl(phenyl)azanide

lithium 2-anilinoethyl(phenyl)azanide (PubChem CID 100968930) has the molecular formula C14H15LiN2 and a molecular weight of 218.23 g/mol. Its IUPAC name is lithium 2-anilinoethyl(phenyl)azanide.

Molecular Properties

Compound Namelithium 2-anilinoethyl(phenyl)azanide
PubChem CID100968930
Molecular FormulaC14H15LiN2
Molecular Weight218.23 g/mol
Exact Mass218.14
IUPAC Namelithium 2-anilinoethyl(phenyl)azanide
SMILES[Li+].c1ccc([N-]CCNc2ccccc2)cc1
InChIInChI=1S/C14H15N2.Li/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;/q-1;+1
InChIKeyBJQGLZWJQBHOPR-UHFFFAOYSA-N
XLogP0.81
TPSA26.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide
CID 161083184
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-(2-iodoethyl)aniline
CID 11184197
N-propylaniline
CID 12153
anilinomethanesulfonamide
CID 154107083
potassium;2-anilinoethanol;sulfuric acid;hydroxide
CID 67587133
N-(2-anilinoethyl)methanesulfonamide;hydrate
CID 139980543
N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline
CID 25130926
N'-iodo-N-phenylethane-1,2-diamine
CID 134342135
ethane;N'-phenylethane-1,2-diamine
CID 91048519
5-anilinopentane-1-sulfonyl chloride
CID 88814944

Frequently Asked Questions

What is the IUPAC name of lithium 2-anilinoethyl(phenyl)azanide?
The IUPAC name of lithium 2-anilinoethyl(phenyl)azanide (CID 100968930) is lithium 2-anilinoethyl(phenyl)azanide.
What is the SMILES notation for lithium 2-anilinoethyl(phenyl)azanide?
The canonical SMILES for lithium 2-anilinoethyl(phenyl)azanide is [Li+].c1ccc([N-]CCNc2ccccc2)cc1.
What is the InChIKey of lithium 2-anilinoethyl(phenyl)azanide?
The InChIKey is BJQGLZWJQBHOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2.Li/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;/q-1;+1.
What are the key properties of lithium 2-anilinoethyl(phenyl)azanide?
lithium 2-anilinoethyl(phenyl)azanide has a molecular weight of 218.23 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-anilinoethyl(phenyl)azanide is sourced from PubChem (CID 100968930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).