2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine

C17H29NO2 — CID 116759943

IUPAC2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCOc1cccc(C(NC)C(CC)(CC)OCC)c1
InChIInChI=1S/C17H29NO2/c1-6-17(7-2,20-9-4)16(18-5)14-11-10-12-15(13-14)19-8-3/h10-13,16,18H,6-9H2,1-5H3
InChIKeyYFXQTFZBVSFQOT-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds9

About 2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine

2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 116759943) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
PubChem CID116759943
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCOc1cccc(C(NC)C(CC)(CC)OCC)c1
InChIInChI=1S/C17H29NO2/c1-6-17(7-2,20-9-4)16(18-5)14-11-10-12-15(13-14)19-8-3/h10-13,16,18H,6-9H2,1-5H3
InChIKeyYFXQTFZBVSFQOT-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-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 116760343
2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 116761004
2-ethoxy-N,2-dimethyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 116726622
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
CID 115827634
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
2-ethoxy-2-ethyl-N-methyl-1-quinolin-8-ylbutan-1-amine
CID 116759944
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 116759960
1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724512
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine (CID 116759943) is 2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine is CCOc1cccc(C(NC)C(CC)(CC)OCC)c1.
What is the InChIKey of 2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is YFXQTFZBVSFQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-17(7-2,20-9-4)16(18-5)14-11-10-12-15(13-14)19-8-3/h10-13,16,18H,6-9H2,1-5H3.
What are the key properties of 2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-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-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 116759943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).