lithium N,N-dimethyl-2-phenylethanamine

C10H14LiN — CID 162408458

IUPAClithium N,N-dimethyl-2-phenylethanamine
SMILESCN(C)CCc1[c-]cccc1.[Li+]
InChIInChI=1S/C10H14N.Li/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-6H,8-9H2,1-2H3;/q-1;+1
InChIKeyUGPPXUQVHIBMPM-UHFFFAOYSA-N
MW155.17 g/mol
LogP-1.41
Rot. Bonds3

About lithium N,N-dimethyl-2-phenylethanamine

lithium N,N-dimethyl-2-phenylethanamine (PubChem CID 162408458) has the molecular formula C10H14LiN and a molecular weight of 155.17 g/mol. Its IUPAC name is lithium N,N-dimethyl-2-phenylethanamine.

Molecular Properties

Compound Namelithium N,N-dimethyl-2-phenylethanamine
PubChem CID162408458
Molecular FormulaC10H14LiN
Molecular Weight155.17 g/mol
Exact Mass155.13
IUPAC Namelithium N,N-dimethyl-2-phenylethanamine
SMILESCN(C)CCc1[c-]cccc1.[Li+]
InChIInChI=1S/C10H14N.Li/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-6H,8-9H2,1-2H3;/q-1;+1
InChIKeyUGPPXUQVHIBMPM-UHFFFAOYSA-N
XLogP-1.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 5-1.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium N,N-dimethyl-2-phenylethanamine?
The IUPAC name of lithium N,N-dimethyl-2-phenylethanamine (CID 162408458) is lithium N,N-dimethyl-2-phenylethanamine.
What is the SMILES notation for lithium N,N-dimethyl-2-phenylethanamine?
The canonical SMILES for lithium N,N-dimethyl-2-phenylethanamine is CN(C)CCc1[c-]cccc1.[Li+].
What is the InChIKey of lithium N,N-dimethyl-2-phenylethanamine?
The InChIKey is UGPPXUQVHIBMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N.Li/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-6H,8-9H2,1-2H3;/q-1;+1.
What are the key properties of lithium N,N-dimethyl-2-phenylethanamine?
lithium N,N-dimethyl-2-phenylethanamine has a molecular weight of 155.17 g/mol, XLogP of -1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dimethyl-2-phenylethanamine is sourced from PubChem (CID 162408458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).