N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine

C16H21N3 — CID 62542571

IUPACN-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)c1cnccn1
InChIInChI=1S/C16H21N3/c1-3-9-19-16(15-12-17-10-11-18-15)14-7-5-13(4-2)6-8-14/h5-8,10-12,16,19H,3-4,9H2,1-2H3
InChIKeyFVWRWAYSQYDGST-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.13
Rot. Bonds6

About N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine

N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 62542571) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID62542571
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)c1cnccn1
InChIInChI=1S/C16H21N3/c1-3-9-19-16(15-12-17-10-11-18-15)14-7-5-13(4-2)6-8-14/h5-8,10-12,16,19H,3-4,9H2,1-2H3
InChIKeyFVWRWAYSQYDGST-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950
N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860589
N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860582
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-[(6-methyl-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63970482
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363
N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 106857672
N-[(4-ethylphenyl)-phenylmethyl]propan-1-amine
CID 43494878
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 113398557
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860282
N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 114602740

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine (CID 62542571) is N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1ccc(CC)cc1)c1cnccn1.
What is the InChIKey of N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is FVWRWAYSQYDGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-9-19-16(15-12-17-10-11-18-15)14-7-5-13(4-2)6-8-14/h5-8,10-12,16,19H,3-4,9H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 62542571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).