2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine

C15H17FN2 — CID 112640127

IUPAC2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccnc1CNCCc1ccc(F)cc1
InChIInChI=1S/C15H17FN2/c1-12-3-2-9-18-15(12)11-17-10-8-13-4-6-14(16)7-5-13/h2-7,9,17H,8,10-11H2,1H3
InChIKeyBLEOJZNULJUABK-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.86
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine

2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 112640127) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID112640127
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccnc1CNCCc1ccc(F)cc1
InChIInChI=1S/C15H17FN2/c1-12-3-2-9-18-15(12)11-17-10-8-13-4-6-14(16)7-5-13/h2-7,9,17H,8,10-11H2,1H3
InChIKeyBLEOJZNULJUABK-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine 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

2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 103172132
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
CID 112650180
N-[(3-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400057
1-(2-bromo-5-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63306292
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 107320423
2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 55114310
N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63305984
2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide
CID 114385023
4-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650022
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (CID 112640127) is 2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine is Cc1cccnc1CNCCc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is BLEOJZNULJUABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-12-3-2-9-18-15(12)11-17-10-8-13-4-6-14(16)7-5-13/h2-7,9,17H,8,10-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 244.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 112640127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).