2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine

C15H25N3O — CID 82303447

IUPAC2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCOc1ccc(C)cc1C(CN)N1CCN(C)CC1
InChIInChI=1S/C15H25N3O/c1-12-4-5-15(19-3)13(10-12)14(11-16)18-8-6-17(2)7-9-18/h4-5,10,14H,6-9,11,16H2,1-3H3
InChIKeyPABHZFBCEMGNFK-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.25
Rot. Bonds4

About 2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine

2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 82303447) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID82303447
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCOc1ccc(C)cc1C(CN)N1CCN(C)CC1
InChIInChI=1S/C15H25N3O/c1-12-4-5-15(19-3)13(10-12)14(11-16)18-8-6-17(2)7-9-18/h4-5,10,14H,6-9,11,16H2,1-3H3
InChIKeyPABHZFBCEMGNFK-UHFFFAOYSA-N
XLogP1.25
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 65021681
2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43209293
2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine
CID 82302971
2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 83979728
1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol
CID 83021665
2-(5-bromo-2-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 63608562
2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 116860255
2-[fluoro-(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
CID 107443810
(1R)-1-(2-methoxy-5-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 97256225
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048
1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82283769

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine (CID 82303447) is 2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine is COc1ccc(C)cc1C(CN)N1CCN(C)CC1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is PABHZFBCEMGNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-4-5-15(19-3)13(10-12)14(11-16)18-8-6-17(2)7-9-18/h4-5,10,14H,6-9,11,16H2,1-3H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 82303447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).