lithium N-(methoxymethyl)aniline

C8H10LiNO — CID 54704530

IUPAClithium N-(methoxymethyl)aniline
SMILESCOCNc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H10NO.Li/c1-10-7-9-8-5-3-2-4-6-8;/h2-5,9H,7H2,1H3;/q-1;+1
InChIKeyODYGRFNLBHPCKZ-UHFFFAOYSA-N
MW143.11 g/mol
LogP-1.49
Rot. Bonds3

About lithium N-(methoxymethyl)aniline

lithium N-(methoxymethyl)aniline (PubChem CID 54704530) has the molecular formula C8H10LiNO and a molecular weight of 143.11 g/mol. Its IUPAC name is lithium N-(methoxymethyl)aniline.

Molecular Properties

Compound Namelithium N-(methoxymethyl)aniline
PubChem CID54704530
Molecular FormulaC8H10LiNO
Molecular Weight143.11 g/mol
Exact Mass143.09
IUPAC Namelithium N-(methoxymethyl)aniline
SMILESCOCNc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H10NO.Li/c1-10-7-9-8-5-3-2-4-6-8;/h2-5,9H,7H2,1H3;/q-1;+1
InChIKeyODYGRFNLBHPCKZ-UHFFFAOYSA-N
XLogP-1.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of lithium N-(methoxymethyl)aniline?
The IUPAC name of lithium N-(methoxymethyl)aniline (CID 54704530) is lithium N-(methoxymethyl)aniline.
What is the SMILES notation for lithium N-(methoxymethyl)aniline?
The canonical SMILES for lithium N-(methoxymethyl)aniline is COCNc1[c-]cccc1.[Li+].
What is the InChIKey of lithium N-(methoxymethyl)aniline?
The InChIKey is ODYGRFNLBHPCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO.Li/c1-10-7-9-8-5-3-2-4-6-8;/h2-5,9H,7H2,1H3;/q-1;+1.
What are the key properties of lithium N-(methoxymethyl)aniline?
lithium N-(methoxymethyl)aniline has a molecular weight of 143.11 g/mol, XLogP of -1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-(methoxymethyl)aniline is sourced from PubChem (CID 54704530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).