lithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate

C12H19LiN2O — CID 134889586

IUPAClithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate
SMILESCN(C)CCN(C)C([O-])c1ccccc1.[Li+]
InChIInChI=1S/C12H19N2O.Li/c1-13(2)9-10-14(3)12(15)11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3;/q-1;+1
InChIKeyRYUHGMFNHWKUFW-UHFFFAOYSA-N
MW214.24 g/mol
LogP-2.46
Rot. Bonds5

About lithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate

lithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate (PubChem CID 134889586) has the molecular formula C12H19LiN2O and a molecular weight of 214.24 g/mol. Its IUPAC name is lithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate.

Molecular Properties

Compound Namelithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate
PubChem CID134889586
Molecular FormulaC12H19LiN2O
Molecular Weight214.24 g/mol
Exact Mass214.17
IUPAC Namelithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate
SMILESCN(C)CCN(C)C([O-])c1ccccc1.[Li+]
InChIInChI=1S/C12H19N2O.Li/c1-13(2)9-10-14(3)12(15)11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3;/q-1;+1
InChIKeyRYUHGMFNHWKUFW-UHFFFAOYSA-N
XLogP-2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-2.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate?
The IUPAC name of lithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate (CID 134889586) is lithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate.
What is the SMILES notation for lithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate?
The canonical SMILES for lithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate is CN(C)CCN(C)C([O-])c1ccccc1.[Li+].
What is the InChIKey of lithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate?
The InChIKey is RYUHGMFNHWKUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2O.Li/c1-13(2)9-10-14(3)12(15)11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3;/q-1;+1.
What are the key properties of lithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate?
lithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate has a molecular weight of 214.24 g/mol, XLogP of -2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2-(dimethylamino)ethyl-methylamino]-phenylmethanolate is sourced from PubChem (CID 134889586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).