lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane

C13H18F2LiN-2 — CID 177191035

IUPAClithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane
SMILES[CH2-]C.[CH2-]CN(C[CH2-])Cc1ccc(F)cc1F.[Li+]
InChIInChI=1S/C11H13F2N.C2H5.Li/c1-3-14(4-2)8-9-5-6-10(12)7-11(9)13;1-2;/h5-7H,1-4,8H2;1H2,2H3;/q-2;-1;+1
InChIKeyYYSRKVNJLMWQHJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.28
Rot. Bonds4

About lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane

lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane (PubChem CID 177191035) has the molecular formula C13H18F2LiN-2 and a molecular weight of 233.23 g/mol. Its IUPAC name is lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane.

Molecular Properties

Compound Namelithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane
PubChem CID177191035
Molecular FormulaC13H18F2LiN-2
Molecular Weight233.23 g/mol
Exact Mass233.16
IUPAC Namelithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane
SMILES[CH2-]C.[CH2-]CN(C[CH2-])Cc1ccc(F)cc1F.[Li+]
InChIInChI=1S/C11H13F2N.C2H5.Li/c1-3-14(4-2)8-9-5-6-10(12)7-11(9)13;1-2;/h5-7H,1-4,8H2;1H2,2H3;/q-2;-1;+1
InChIKeyYYSRKVNJLMWQHJ-UHFFFAOYSA-N
XLogP0.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.28
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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Related Compounds

2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803
N-[(2,4-difluorophenyl)methyl]-N-methylformamide
CID 64990427
1-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylmethanesulfonamide
CID 83084049
[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660658
(2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol
CID 93164869
N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 62197006
3-[[(2,4-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 62196361
N-benzyl-2-chloro-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 63389209
N-[(2,4-difluorophenyl)methyl]-N-methylazetidin-3-amine
CID 66188228
(2,4-difluorophenyl)methanesulfonic acid
CID 87155472

Frequently Asked Questions

What is the IUPAC name of lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane?
The IUPAC name of lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane (CID 177191035) is lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane.
What is the SMILES notation for lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane?
The canonical SMILES for lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane is [CH2-]C.[CH2-]CN(C[CH2-])Cc1ccc(F)cc1F.[Li+].
What is the InChIKey of lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane?
The InChIKey is YYSRKVNJLMWQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N.C2H5.Li/c1-3-14(4-2)8-9-5-6-10(12)7-11(9)13;1-2;/h5-7H,1-4,8H2;1H2,2H3;/q-2;-1;+1.
What are the key properties of lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane?
lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane has a molecular weight of 233.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane is sourced from PubChem (CID 177191035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).