2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine

C18H31NO2 — CID 103487449

IUPAC2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(CC)OC(C)COCC
InChIInChI=1S/C18H31NO2/c1-5-13-19-18(16-11-9-8-10-12-16)17(6-2)21-15(4)14-20-7-3/h8-12,15,17-19H,5-7,13-14H2,1-4H3
InChIKeyWPVSCPOLWXPELJ-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.95
Rot. Bonds11

About 2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine

2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine (PubChem CID 103487449) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine
PubChem CID103487449
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(CC)OC(C)COCC
InChIInChI=1S/C18H31NO2/c1-5-13-19-18(16-11-9-8-10-12-16)17(6-2)21-15(4)14-20-7-3/h8-12,15,17-19H,5-7,13-14H2,1-4H3
InChIKeyWPVSCPOLWXPELJ-UHFFFAOYSA-N
XLogP3.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine
CID 82004553
2-(2-cyclopropylethoxy)-1-phenyl-N-propylpropan-1-amine
CID 106200663
2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814687
3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine
CID 55112331
3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814691
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine
CID 63467773
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 116717283
2-butan-2-ylsulfanyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64613003
N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 103490209
2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine
CID 64610486

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine?
The IUPAC name of 2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine (CID 103487449) is 2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine is CCCNC(c1ccccc1)C(CC)OC(C)COCC.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine?
The InChIKey is WPVSCPOLWXPELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-13-19-18(16-11-9-8-10-12-16)17(6-2)21-15(4)14-20-7-3/h8-12,15,17-19H,5-7,13-14H2,1-4H3.
What are the key properties of 2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine?
2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 103487449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).