1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine

C17H21NO2 — CID 63941952

IUPAC1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
SMILESCCOc1ccc(Oc2cccc(CC(C)N)c2)cc1
InChIInChI=1S/C17H21NO2/c1-3-19-15-7-9-16(10-8-15)20-17-6-4-5-14(12-17)11-13(2)18/h4-10,12-13H,3,11,18H2,1-2H3
InChIKeyFOIHGHSVOAMGPS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.77
Rot. Bonds6

About 1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine

1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine (PubChem CID 63941952) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
PubChem CID63941952
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
SMILESCCOc1ccc(Oc2cccc(CC(C)N)c2)cc1
InChIInChI=1S/C17H21NO2/c1-3-19-15-7-9-16(10-8-15)20-17-6-4-5-14(12-17)11-13(2)18/h4-10,12-13H,3,11,18H2,1-2H3
InChIKeyFOIHGHSVOAMGPS-UHFFFAOYSA-N
XLogP3.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-aminopropyl)phenoxy]aniline
CID 116996628
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
2-[3-(4-ethoxyphenoxy)phenyl]ethanamine
CID 63941757
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
CID 63941754
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972
1-[3-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63943526
(2R)-1-(3,5-diethoxyphenyl)propan-2-amine
CID 139743645
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
1-(3-pyridin-3-yloxyphenyl)propan-2-amine
CID 63941950
1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine
CID 63942350

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine (CID 63941952) is 1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine is CCOc1ccc(Oc2cccc(CC(C)N)c2)cc1.
What is the InChIKey of 1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine?
The InChIKey is FOIHGHSVOAMGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-19-15-7-9-16(10-8-15)20-17-6-4-5-14(12-17)11-13(2)18/h4-10,12-13H,3,11,18H2,1-2H3.
What are the key properties of 1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine?
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63941952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).