N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine

C16H20FN3 — CID 107130264

IUPACN-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1)c1cnc(C)cn1
InChIInChI=1S/C16H20FN3/c1-4-7-18-16(15-10-19-12(3)9-20-15)13-6-5-11(2)14(17)8-13/h5-6,8-10,16,18H,4,7H2,1-3H3
InChIKeyBVUHKVBLTXRMCN-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.32
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine

N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine (PubChem CID 107130264) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
PubChem CID107130264
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1)c1cnc(C)cn1
InChIInChI=1S/C16H20FN3/c1-4-7-18-16(15-10-19-12(3)9-20-15)13-6-5-11(2)14(17)8-13/h5-6,8-10,16,18H,4,7H2,1-3H3
InChIKeyBVUHKVBLTXRMCN-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]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-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105140288
N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105171117
N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 107129043
N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105144595
N-[(3-fluoro-4-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494693
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 43497580
N-[(3-fluoro-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66270988
N-[(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107129020
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130464
[(4-fluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105302633

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine (CID 107130264) is N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(F)c1)c1cnc(C)cn1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is BVUHKVBLTXRMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-4-7-18-16(15-10-19-12(3)9-20-15)13-6-5-11(2)14(17)8-13/h5-6,8-10,16,18H,4,7H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 273.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107130264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).