2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine

C17H29NO2 — CID 116544752

IUPAC2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
SMILESCCOC(OCC)C(NC)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H29NO2/c1-6-19-17(20-7-2)16(18-5)15-10-8-9-14(12-15)11-13(3)4/h8-10,12-13,16-18H,6-7,11H2,1-5H3
InChIKeyAIFAWNVKIYOGDB-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.54
Rot. Bonds9

About 2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine

2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine (PubChem CID 116544752) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
PubChem CID116544752
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
SMILESCCOC(OCC)C(NC)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H29NO2/c1-6-19-17(20-7-2)16(18-5)15-10-8-9-14(12-15)11-13(3)4/h8-10,12-13,16-18H,6-7,11H2,1-5H3
InChIKeyAIFAWNVKIYOGDB-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116716569
2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543713
2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 79496374
2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116724427
2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722194
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116720818
2-ethoxy-1-(3-ethylphenyl)-N-methyl-2-phenylethanamine
CID 116773666
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713426
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116725223
N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine
CID 105050603
1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol
CID 175219861

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine (CID 116544752) is 2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine is CCOC(OCC)C(NC)c1cccc(CC(C)C)c1.
What is the InChIKey of 2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is AIFAWNVKIYOGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-19-17(20-7-2)16(18-5)15-10-8-9-14(12-15)11-13(3)4/h8-10,12-13,16-18H,6-7,11H2,1-5H3.
What are the key properties of 2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine?
2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 116544752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).