2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine

C17H29NO2 — CID 116717002

IUPAC2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
SMILESCCNC(c1ccccc1OC(C)C)C(CC)OCC
InChIInChI=1S/C17H29NO2/c1-6-15(19-8-3)17(18-7-2)14-11-9-10-12-16(14)20-13(4)5/h9-13,15,17-18H,6-8H2,1-5H3
InChIKeyAHLUCLPFSPGDCV-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds9

About 2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine

2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 116717002) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
PubChem CID116717002
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
SMILESCCNC(c1ccccc1OC(C)C)C(CC)OCC
InChIInChI=1S/C17H29NO2/c1-6-15(19-8-3)17(18-7-2)14-11-9-10-12-16(14)20-13(4)5/h9-13,15,17-18H,6-8H2,1-5H3
InChIKeyAHLUCLPFSPGDCV-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-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 116717283
2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 116717005
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116716830
3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105171033
2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102833842
1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717031
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116716585
2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine
CID 116716895
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine
CID 105171035
N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 106692741

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine (CID 116717002) is 2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine is CCNC(c1ccccc1OC(C)C)C(CC)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is AHLUCLPFSPGDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-15(19-8-3)17(18-7-2)14-11-9-10-12-16(14)20-13(4)5/h9-13,15,17-18H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine?
2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-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-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 116717002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).