lithium phenylmethanamine

C7H8LiN — CID 71345009

IUPAClithium phenylmethanamine
SMILESNCc1[c-]cccc1.[Li+]
InChIInChI=1S/C7H8N.Li/c8-6-7-4-2-1-3-5-7;/h1-4H,6,8H2;/q-1;+1
InChIKeyASRTWHGLSFAHSD-UHFFFAOYSA-N
MW113.09 g/mol
LogP-2.05
Rot. Bonds1

About lithium phenylmethanamine

lithium phenylmethanamine (PubChem CID 71345009) has the molecular formula C7H8LiN and a molecular weight of 113.09 g/mol. Its IUPAC name is lithium phenylmethanamine.

Molecular Properties

Compound Namelithium phenylmethanamine
PubChem CID71345009
Molecular FormulaC7H8LiN
Molecular Weight113.09 g/mol
Exact Mass113.08
IUPAC Namelithium phenylmethanamine
SMILESNCc1[c-]cccc1.[Li+]
InChIInChI=1S/C7H8N.Li/c8-6-7-4-2-1-3-5-7;/h1-4H,6,8H2;/q-1;+1
InChIKeyASRTWHGLSFAHSD-UHFFFAOYSA-N
XLogP-2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 5-2.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lithium phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethenylpenta-2,4-dien-1-amine
CID 130019175
4-Ethenylhexa-3,5-dien-1-amine
CID 130019176
Cyclohexa-1,4-dien-1-ylmethanamine
CID 21442526
3,4-Dihydrobenzylamine
CID 21950499
2-Methyleneaniline
CID 70393655
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731
(4-Fluorocyclohexa-1,5-dien-1-yl)methanamine
CID 89090864
(3-Fluorocyclohexa-1,5-dien-1-yl)methanamine
CID 89671973
5-Fluoro-2-methylidenehexa-3,5-dien-1-amine
CID 123720519
(Z,2E)-2-ethylidene-5-fluoropent-3-en-1-amine
CID 129210143
(E)-2-ethenyl-4-fluoropent-2-en-1-amine
CID 130373413
(3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine
CID 142062720

Frequently Asked Questions

What is the IUPAC name of lithium phenylmethanamine?
The IUPAC name of lithium phenylmethanamine (CID 71345009) is lithium phenylmethanamine.
What is the SMILES notation for lithium phenylmethanamine?
The canonical SMILES for lithium phenylmethanamine is NCc1[c-]cccc1.[Li+].
What is the InChIKey of lithium phenylmethanamine?
The InChIKey is ASRTWHGLSFAHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.Li/c8-6-7-4-2-1-3-5-7;/h1-4H,6,8H2;/q-1;+1.
What are the key properties of lithium phenylmethanamine?
lithium phenylmethanamine has a molecular weight of 113.09 g/mol, XLogP of -2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium phenylmethanamine is sourced from PubChem (CID 71345009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).