N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine

C14H16FN3O — CID 133469091

IUPACN-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine
SMILESCc1cncc(NCCCOc2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O/c1-11-9-16-10-14(18-11)17-7-2-8-19-13-5-3-12(15)4-6-13/h3-6,9-10H,2,7-8H2,1H3,(H,17,18)
InChIKeyWYTAJJNGKRQWJX-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.81
Rot. Bonds6

About N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine

N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine (PubChem CID 133469091) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine
PubChem CID133469091
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine
SMILESCc1cncc(NCCCOc2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O/c1-11-9-16-10-14(18-11)17-7-2-8-19-13-5-3-12(15)4-6-13/h3-6,9-10H,2,7-8H2,1H3,(H,17,18)
InChIKeyWYTAJJNGKRQWJX-UHFFFAOYSA-N
XLogP2.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.81
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

6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine
CID 134706585
N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine
CID 133471001
6-methyl-N-[2-(2-phenylphenoxy)ethyl]pyrazin-2-amine
CID 133468807
4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline
CID 55093405
N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine
CID 133470236
6-hydrazinyl-N-(3-phenoxypropyl)pyrazin-2-amine
CID 80918884
3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine
CID 133469573
N-(3-fluorobutyl)-6-methylpyrazin-2-amine
CID 130835221
6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide
CID 133329134
N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine
CID 133468470
N-[2-(3,4-difluorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133291797
2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80799502

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine (CID 133469091) is N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine is Cc1cncc(NCCCOc2ccc(F)cc2)n1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine?
The InChIKey is WYTAJJNGKRQWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-11-9-16-10-14(18-11)17-7-2-8-19-13-5-3-12(15)4-6-13/h3-6,9-10H,2,7-8H2,1H3,(H,17,18).
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine?
N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine has a molecular weight of 261.30 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine is sourced from PubChem (CID 133469091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).