N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine

C14H15Cl2N3 — CID 105142310

IUPACN-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1cnc(C)cn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2N3/c1-3-17-14(13-8-18-9(2)7-19-13)11-6-10(15)4-5-12(11)16/h4-8,14,17H,3H2,1-2H3
InChIKeyPPJFNNJQIOIEAY-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.79
Rot. Bonds4

About N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine

N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine (PubChem CID 105142310) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
PubChem CID105142310
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC NameN-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1cnc(C)cn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2N3/c1-3-17-14(13-8-18-9(2)7-19-13)11-6-10(15)4-5-12(11)16/h4-8,14,17H,3H2,1-2H3
InChIKeyPPJFNNJQIOIEAY-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)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

N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(2,5-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 115530861
N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105142190
N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105142188
N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491174
N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105115764
N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105097208
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105093021
1-(2-chlorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105099602
N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 43491967
N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 107974842

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine (CID 105142310) is N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine is CCNC(c1cnc(C)cn1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is PPJFNNJQIOIEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-3-17-14(13-8-18-9(2)7-19-13)11-6-10(15)4-5-12(11)16/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 296.20 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 105142310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).