N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine

C17H28N2O3 — CID 84754386

IUPACN-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(N2CC(C)OC(C)C2)c(OC)c1
InChIInChI=1S/C17H28N2O3/c1-13-11-19(12-14(2)22-13)16-6-5-15(9-17(16)21-4)10-18-7-8-20-3/h5-6,9,13-14,18H,7-8,10-12H2,1-4H3
InChIKeyGYZSSHFMHIVJGV-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.04
Rot. Bonds7

About N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine (PubChem CID 84754386) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine
PubChem CID84754386
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(N2CC(C)OC(C)C2)c(OC)c1
InChIInChI=1S/C17H28N2O3/c1-13-11-19(12-14(2)22-13)16-6-5-15(9-17(16)21-4)10-18-7-8-20-3/h5-6,9,13-14,18H,7-8,10-12H2,1-4H3
InChIKeyGYZSSHFMHIVJGV-UHFFFAOYSA-N
XLogP2.04
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 84754239
2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
CID 84754658
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-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine
CID 84754536
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84753551
4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 84754118
2-methoxy-N-[[4-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]ethanamine
CID 63071711
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline
CID 97024254

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine (CID 84754386) is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(N2CC(C)OC(C)C2)c(OC)c1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine?
The InChIKey is GYZSSHFMHIVJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13-11-19(12-14(2)22-13)16-6-5-15(9-17(16)21-4)10-18-7-8-20-3/h5-6,9,13-14,18H,7-8,10-12H2,1-4H3.
What are the key properties of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine?
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine has a molecular weight of 308.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 84754386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).