N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine

C17H23N3 — CID 105171117

IUPACN-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)c1cnc(C)cn1
InChIInChI=1S/C17H23N3/c1-4-9-18-17(16-12-19-13(3)11-20-16)15-8-6-7-14(5-2)10-15/h6-8,10-12,17-18H,4-5,9H2,1-3H3
InChIKeyFNIMXTSCWFMYGW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.44
Rot. Bonds6

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

N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine (PubChem CID 105171117) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
PubChem CID105171117
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)c1cnc(C)cn1
InChIInChI=1S/C17H23N3/c1-4-9-18-17(16-12-19-13(3)11-20-16)15-8-6-7-14(5-2)10-15/h6-8,10-12,17-18H,4-5,9H2,1-3H3
InChIKeyFNIMXTSCWFMYGW-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105140288
N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 107130264
N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105140593
N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105093021
N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018464
N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790432
N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018545
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105171205
N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018504
N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63840842
N-[(2,5-dichlorothiophen-3-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 107968804

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine (CID 105171117) is N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1cccc(CC)c1)c1cnc(C)cn1.
What is the InChIKey of N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is FNIMXTSCWFMYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-9-18-17(16-12-19-13(3)11-20-16)15-8-6-7-14(5-2)10-15/h6-8,10-12,17-18H,4-5,9H2,1-3H3.
What are the key properties of N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105171117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).