2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine

C17H28N2O2 — CID 84754239

IUPAC2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(N2CCCC(C)C2)c(OC)c1
InChIInChI=1S/C17H28N2O2/c1-14-5-4-9-19(13-14)16-7-6-15(11-17(16)21-3)12-18-8-10-20-2/h6-7,11,14,18H,4-5,8-10,12-13H2,1-3H3
InChIKeyYOAOFAHIKMMYRQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.67
Rot. Bonds7

About 2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine

2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 84754239) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID84754239
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(N2CCCC(C)C2)c(OC)c1
InChIInChI=1S/C17H28N2O2/c1-14-5-4-9-19(13-14)16-7-6-15(11-17(16)21-3)12-18-8-10-20-2/h6-7,11,14,18H,4-5,8-10,12-13H2,1-3H3
InChIKeyYOAOFAHIKMMYRQ-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
CID 84754658
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 84754386
N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine
CID 84749663
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
2-methoxy-N-[[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 63058712
N-[[3-chloro-4-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81144196
N-[[4-(azepan-1-yl)-3-chlorophenyl]methyl]-2-methoxyethanamine
CID 81148520
N-[[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81149735
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol
CID 102960923
N-[[4-(azocan-1-yl)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63060536
N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]butan-1-amine
CID 84753315
N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 84754813

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine (CID 84754239) is 2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine is COCCNCc1ccc(N2CCCC(C)C2)c(OC)c1.
What is the InChIKey of 2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is YOAOFAHIKMMYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14-5-4-9-19(13-14)16-7-6-15(11-17(16)21-3)12-18-8-10-20-2/h6-7,11,14,18H,4-5,8-10,12-13H2,1-3H3.
What are the key properties of 2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 84754239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).