N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine

C18H25N3O — CID 91843012

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine
SMILESCc1ccc(OCCN(C)C(C)Cc2cnccn2)c(C)c1
InChIInChI=1S/C18H25N3O/c1-14-5-6-18(15(2)11-14)22-10-9-21(4)16(3)12-17-13-19-7-8-20-17/h5-8,11,13,16H,9-10,12H2,1-4H3
InChIKeySXLRWKGNMUVMKW-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.04
Rot. Bonds7

About N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine

N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine (PubChem CID 91843012) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine
PubChem CID91843012
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine
SMILESCc1ccc(OCCN(C)C(C)Cc2cnccn2)c(C)c1
InChIInChI=1S/C18H25N3O/c1-14-5-6-18(15(2)11-14)22-10-9-21(4)16(3)12-17-13-19-7-8-20-17/h5-8,11,13,16H,9-10,12H2,1-4H3
InChIKeySXLRWKGNMUVMKW-UHFFFAOYSA-N
XLogP3.04
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-[2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]ethyl]-1H-pyrimidine-2,4-dione
CID 91843148
2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline
CID 83961694
4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine
CID 2057942
(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine
CID 99942942
N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide
CID 124752606
1-(3-bromobutoxy)-2,4-dimethylbenzene
CID 141270255
1-[2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]ethyl]pyrrolidin-2-one
CID 124750591
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 77096482
(2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 124754261
2,4-dimethyl-1-(3-propan-2-ylsulfanylpropoxy)benzene
CID 30842801
N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 70659288

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine (CID 91843012) is N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine is Cc1ccc(OCCN(C)C(C)Cc2cnccn2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine?
The InChIKey is SXLRWKGNMUVMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-5-6-18(15(2)11-14)22-10-9-21(4)16(3)12-17-13-19-7-8-20-17/h5-8,11,13,16H,9-10,12H2,1-4H3.
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine?
N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine has a molecular weight of 299.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine is sourced from PubChem (CID 91843012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).