1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine

C14H23N3O — CID 113388932

IUPAC1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine
SMILESCOc1cccc(N2CCN(C)CC2)c1C(C)N
InChIInChI=1S/C14H23N3O/c1-11(15)14-12(5-4-6-13(14)18-3)17-9-7-16(2)8-10-17/h4-6,11H,7-10,15H2,1-3H3
InChIKeySVQRVWJEODUJPG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.47
Rot. Bonds3

About 1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine

1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine (PubChem CID 113388932) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine
PubChem CID113388932
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine
SMILESCOc1cccc(N2CCN(C)CC2)c1C(C)N
InChIInChI=1S/C14H23N3O/c1-11(15)14-12(5-4-6-13(14)18-3)17-9-7-16(2)8-10-17/h4-6,11H,7-10,15H2,1-3H3
InChIKeySVQRVWJEODUJPG-UHFFFAOYSA-N
XLogP1.47
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine
CID 113388930
(1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 106314700
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanamine
CID 114460236
(1S)-1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 104930333
[1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781715
(1S)-1-[2-(2-ethylazepan-1-yl)-6-methoxyphenyl]ethanamine
CID 104690196
(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol
CID 103498594
(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 63371574
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide
CID 154834422
(1S)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanol
CID 104929030

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine (CID 113388932) is 1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine is COc1cccc(N2CCN(C)CC2)c1C(C)N.
What is the InChIKey of 1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine?
The InChIKey is SVQRVWJEODUJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(15)14-12(5-4-6-13(14)18-3)17-9-7-16(2)8-10-17/h4-6,11H,7-10,15H2,1-3H3.
What are the key properties of 1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine?
1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 113388932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).