N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine

C16H21N3O — CID 107381438

IUPACN-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OC(C)c2ccccc2)cn1
InChIInChI=1S/C16H21N3O/c1-3-9-17-10-15-11-19-16(12-18-15)20-13(2)14-7-5-4-6-8-14/h4-8,11-13,17H,3,9-10H2,1-2H3
InChIKeyCHNAHVSRBRELMA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds7

About N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine

N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107381438) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107381438
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OC(C)c2ccccc2)cn1
InChIInChI=1S/C16H21N3O/c1-3-9-17-10-15-11-19-16(12-18-15)20-13(2)14-7-5-4-6-8-14/h4-8,11-13,17H,3,9-10H2,1-2H3
InChIKeyCHNAHVSRBRELMA-UHFFFAOYSA-N
XLogP3.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291948
N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381727
N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381761
N-[2-(1-phenylethoxy)ethyl]propan-1-amine
CID 62444581
N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
CID 115952747
N-[[3-chloro-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
CID 115953077
N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381742
N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107382393
N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382115
N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 62848270
N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107378961
N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62443630

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine (CID 107381438) is N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cnc(OC(C)c2ccccc2)cn1.
What is the InChIKey of N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is CHNAHVSRBRELMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-9-17-10-15-11-19-16(12-18-15)20-13(2)14-7-5-4-6-8-14/h4-8,11-13,17H,3,9-10H2,1-2H3.
What are the key properties of N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine?
N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107381438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).