N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine

C14H15ClFN3 — CID 122142133

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine
SMILESCN(CCc1cnccn1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H15ClFN3/c1-19(7-4-12-9-17-5-6-18-12)10-11-2-3-13(15)14(16)8-11/h2-3,5-6,8-9H,4,7,10H2,1H3
InChIKeyGYEMMGJTOLWTHE-UHFFFAOYSA-N
MW279.75 g/mol
LogP2.94
Rot. Bonds5

About N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine

N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine (PubChem CID 122142133) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine
PubChem CID122142133
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine
SMILESCN(CCc1cnccn1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H15ClFN3/c1-19(7-4-12-9-17-5-6-18-12)10-11-2-3-13(15)14(16)8-11/h2-3,5-6,8-9H,4,7,10H2,1H3
InChIKeyGYEMMGJTOLWTHE-UHFFFAOYSA-N
XLogP2.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine (CID 122142133) is N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine is CN(CCc1cnccn1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine?
The InChIKey is GYEMMGJTOLWTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-19(7-4-12-9-17-5-6-18-12)10-11-2-3-13(15)14(16)8-11/h2-3,5-6,8-9H,4,7,10H2,1H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine?
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine has a molecular weight of 279.75 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine is sourced from PubChem (CID 122142133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).