2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine

C18H31NO2 — CID 116717283

IUPAC2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1OC(C)C)C(CC)OCC
InChIInChI=1S/C18H31NO2/c1-6-13-19-18(16(7-2)20-8-3)15-11-9-10-12-17(15)21-14(4)5/h9-12,14,16,18-19H,6-8,13H2,1-5H3
InChIKeySWBCBWYQYGZVAE-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.33
Rot. Bonds10

About 2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine

2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine (PubChem CID 116717283) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
PubChem CID116717283
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1OC(C)C)C(CC)OCC
InChIInChI=1S/C18H31NO2/c1-6-13-19-18(16(7-2)20-8-3)15-11-9-10-12-17(15)21-14(4)5/h9-12,14,16,18-19H,6-8,13H2,1-5H3
InChIKeySWBCBWYQYGZVAE-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
CID 116717002
1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717297
1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717237
2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 105018405
N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 80604477
2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 116717005
4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 105170923
N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 105018126
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105171033
2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116716585
N-[2,2-dimethoxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79493375

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine (CID 116717283) is 2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine is CCCNC(c1ccccc1OC(C)C)C(CC)OCC.
What is the InChIKey of 2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine?
The InChIKey is SWBCBWYQYGZVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-13-19-18(16(7-2)20-8-3)15-11-9-10-12-17(15)21-14(4)5/h9-12,14,16,18-19H,6-8,13H2,1-5H3.
What are the key properties of 2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine?
2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 116717283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).