1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine

C18H23NO2 — CID 107668887

IUPAC1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine
SMILESCCc1ccc(Oc2ccc(CC(C)N)cc2)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-4-14-7-10-17(18(12-14)20-3)21-16-8-5-15(6-9-16)11-13(2)19/h5-10,12-13H,4,11,19H2,1-3H3
InChIKeyLFQVBGJNGKEPSE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.94
Rot. Bonds6

About 1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine

1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine (PubChem CID 107668887) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine
PubChem CID107668887
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine
SMILESCCc1ccc(Oc2ccc(CC(C)N)cc2)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-4-14-7-10-17(18(12-14)20-3)21-16-8-5-15(6-9-16)11-13(2)19/h5-10,12-13H,4,11,19H2,1-3H3
InChIKeyLFQVBGJNGKEPSE-UHFFFAOYSA-N
XLogP3.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63817540
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864749
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
1-[4-(3-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63815930
1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene
CID 107666228
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
4-[4-[[4-(4-aminophenoxy)-3-methoxyphenyl]methyl]-2-methoxyphenoxy]aniline
CID 18926100
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine
CID 83942714
1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
CID 60906895
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine (CID 107668887) is 1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine is CCc1ccc(Oc2ccc(CC(C)N)cc2)c(OC)c1.
What is the InChIKey of 1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine?
The InChIKey is LFQVBGJNGKEPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-14-7-10-17(18(12-14)20-3)21-16-8-5-15(6-9-16)11-13(2)19/h5-10,12-13H,4,11,19H2,1-3H3.
What are the key properties of 1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine?
1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 107668887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).