2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine

C17H29NO2 — CID 116727056

IUPAC2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1OCC)C(C)(C)OCC
InChIInChI=1S/C17H29NO2/c1-6-13-18-16(17(4,5)20-8-3)14-11-9-10-12-15(14)19-7-2/h9-12,16,18H,6-8,13H2,1-5H3
InChIKeyDJGASTTULVRJAF-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds9

About 2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine

2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 116727056) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID116727056
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1OCC)C(C)(C)OCC
InChIInChI=1S/C17H29NO2/c1-6-13-18-16(17(4,5)20-8-3)14-11-9-10-12-15(14)19-7-2/h9-12,16,18H,6-8,13H2,1-5H3
InChIKeyDJGASTTULVRJAF-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 105018405
2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 63413587
1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 116727046
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027
1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79196771
2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 116727223
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
2-(2-ethoxyphenyl)-N-propylhexan-3-amine
CID 83050810
N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62802224

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine (CID 116727056) is 2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccccc1OCC)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is DJGASTTULVRJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-13-18-16(17(4,5)20-8-3)14-11-9-10-12-15(14)19-7-2/h9-12,16,18H,6-8,13H2,1-5H3.
What are the key properties of 2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 116727056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).