1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine

C18H23NO2 — CID 62802881

IUPAC1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine
SMILESCCOc1ccccc1C(CCOc1ccccc1)NC
InChIInChI=1S/C18H23NO2/c1-3-20-18-12-8-7-11-16(18)17(19-2)13-14-21-15-9-5-4-6-10-15/h4-12,17,19H,3,13-14H2,1-2H3
InChIKeyGQISANDHFXUEHG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.81
Rot. Bonds8

About 1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine

1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine (PubChem CID 62802881) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine
PubChem CID62802881
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine
SMILESCCOc1ccccc1C(CCOc1ccccc1)NC
InChIInChI=1S/C18H23NO2/c1-3-20-18-12-8-7-11-16(18)17(19-2)13-14-21-15-9-5-4-6-10-15/h4-12,17,19H,3,13-14H2,1-2H3
InChIKeyGQISANDHFXUEHG-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine (CID 62802881) is 1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine is CCOc1ccccc1C(CCOc1ccccc1)NC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine?
The InChIKey is GQISANDHFXUEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-20-18-12-8-7-11-16(18)17(19-2)13-14-21-15-9-5-4-6-10-15/h4-12,17,19H,3,13-14H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine?
1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine is sourced from PubChem (CID 62802881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).