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

C14H23NO4 — CID 60657358

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
SMILESCCOc1ccc(CNCC(OC)OC)cc1OC
InChIInChI=1S/C14H23NO4/c1-5-19-12-7-6-11(8-13(12)16-2)9-15-10-14(17-3)18-4/h6-8,14-15H,5,9-10H2,1-4H3
InChIKeyPUVLFSXSVSONQZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.80
Rot. Bonds9

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

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine (PubChem CID 60657358) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
PubChem CID60657358
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
SMILESCCOc1ccc(CNCC(OC)OC)cc1OC
InChIInChI=1S/C14H23NO4/c1-5-19-12-7-6-11(8-13(12)16-2)9-15-10-14(17-3)18-4/h6-8,14-15H,5,9-10H2,1-4H3
InChIKeyPUVLFSXSVSONQZ-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-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 22226486
1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol
CID 115623406
1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205575
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'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463346
5-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-1-ol
CID 17206733

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine (CID 60657358) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine is CCOc1ccc(CNCC(OC)OC)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine?
The InChIKey is PUVLFSXSVSONQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-19-12-7-6-11(8-13(12)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-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine?
N-[(4-ethoxy-3-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-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 60657358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).