2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine

C16H27NO2 — CID 64535027

IUPAC2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)ccc1OC)C(C)OCC
InChIInChI=1S/C16H27NO2/c1-6-10-17-16(13(4)19-7-2)14-11-12(3)8-9-15(14)18-5/h8-9,11,13,16-17H,6-7,10H2,1-5H3
InChIKeyCCRHSYFRLGWBND-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.47
Rot. Bonds8

About 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine

2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine (PubChem CID 64535027) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine
PubChem CID64535027
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)ccc1OC)C(C)OCC
InChIInChI=1S/C16H27NO2/c1-6-10-17-16(13(4)19-7-2)14-11-12(3)8-9-15(14)18-5/h8-9,11,13,16-17H,6-7,10H2,1-5H3
InChIKeyCCRHSYFRLGWBND-UHFFFAOYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
CID 43626415
1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721709
4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
CID 105144070
1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115850153
1-(2-ethoxy-5-methylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518845
2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 116725452
2-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 116718746
N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 62790493
N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755261
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine (CID 64535027) is 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine is CCCNC(c1cc(C)ccc1OC)C(C)OCC.
What is the InChIKey of 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is CCRHSYFRLGWBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-10-17-16(13(4)19-7-2)14-11-12(3)8-9-15(14)18-5/h8-9,11,13,16-17H,6-7,10H2,1-5H3.
What are the key properties of 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine?
2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 64535027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).