N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine

C16H19ClFN3 — CID 105105691

IUPACN-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)c1cnc(C)cn1
InChIInChI=1S/C16H19ClFN3/c1-3-7-19-15(16-10-20-11(2)9-21-16)8-12-13(17)5-4-6-14(12)18/h4-6,9-10,15,19H,3,7-8H2,1-2H3
InChIKeyJDHZOFYLJPPKHC-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.86
Rot. Bonds6

About N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine

N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine (PubChem CID 105105691) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
PubChem CID105105691
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)c1cnc(C)cn1
InChIInChI=1S/C16H19ClFN3/c1-3-7-19-15(16-10-20-11(2)9-21-16)8-12-13(17)5-4-6-14(12)18/h4-6,9-10,15,19H,3,7-8H2,1-2H3
InChIKeyJDHZOFYLJPPKHC-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine 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-[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105178875
N-[2-(2-chloro-6-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 63556149
2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol
CID 105081261
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105117344
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 61079881
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114650375
N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974962
N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497746
2-(2-chloro-6-fluorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81319210
N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105089075
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine (CID 105105691) is N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine is CCCNC(Cc1c(F)cccc1Cl)c1cnc(C)cn1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine?
The InChIKey is JDHZOFYLJPPKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-3-7-19-15(16-10-20-11(2)9-21-16)8-12-13(17)5-4-6-14(12)18/h4-6,9-10,15,19H,3,7-8H2,1-2H3.
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine?
N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine has a molecular weight of 307.80 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105105691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).