N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine

C14H23NO4 — CID 22226486

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
SMILESCCOc1cc(CNCC(OC)OC)ccc1OC
InChIInChI=1S/C14H23NO4/c1-5-19-13-8-11(6-7-12(13)16-2)9-15-10-14(17-3)18-4/h6-8,14-15H,5,9-10H2,1-4H3
InChIKeyFSNVVZFDJVSRHK-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.80
Rot. Bonds9

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine (PubChem CID 22226486) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
PubChem CID22226486
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
SMILESCCOc1cc(CNCC(OC)OC)ccc1OC
InChIInChI=1S/C14H23NO4/c1-5-19-13-8-11(6-7-12(13)16-2)9-15-10-14(17-3)18-4/h6-8,14-15H,5,9-10H2,1-4H3
InChIKeyFSNVVZFDJVSRHK-UHFFFAOYSA-N
XLogP1.80
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657358
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol
CID 110885649
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol
CID 115623406

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine (CID 22226486) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine is CCOc1cc(CNCC(OC)OC)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine?
The InChIKey is FSNVVZFDJVSRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-19-13-8-11(6-7-12(13)16-2)9-15-10-14(17-3)18-4/h6-8,14-15H,5,9-10H2,1-4H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine has a molecular weight of 269.34 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 22226486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).