1-[3-(3-ethylphenoxy)phenyl]propan-2-amine

C17H21NO — CID 63942734

IUPAC1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
SMILESCCc1cccc(Oc2cccc(CC(C)N)c2)c1
InChIInChI=1S/C17H21NO/c1-3-14-6-4-8-16(11-14)19-17-9-5-7-15(12-17)10-13(2)18/h4-9,11-13H,3,10,18H2,1-2H3
InChIKeyIKKPJKAYVIVRSS-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.93
Rot. Bonds5

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

1-[3-(3-ethylphenoxy)phenyl]propan-2-amine (PubChem CID 63942734) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[3-(3-ethylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
PubChem CID63942734
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
SMILESCCc1cccc(Oc2cccc(CC(C)N)c2)c1
InChIInChI=1S/C17H21NO/c1-3-14-6-4-8-16(11-14)19-17-9-5-7-15(12-17)10-13(2)18/h4-9,11-13H,3,10,18H2,1-2H3
InChIKeyIKKPJKAYVIVRSS-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63815930
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
4-[3-(2-aminopropyl)phenoxy]aniline
CID 116996628
1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
CID 63941754
1-[3-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63943526
1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63815753
1-(3-pyridin-3-yloxyphenyl)propan-2-amine
CID 63941950
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521
1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine
CID 83234688
1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine
CID 63942350
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(3-ethylphenoxy)phenyl]propan-2-amine (CID 63942734) is 1-[3-(3-ethylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(3-ethylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(3-ethylphenoxy)phenyl]propan-2-amine is CCc1cccc(Oc2cccc(CC(C)N)c2)c1.
What is the InChIKey of 1-[3-(3-ethylphenoxy)phenyl]propan-2-amine?
The InChIKey is IKKPJKAYVIVRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-14-6-4-8-16(11-14)19-17-9-5-7-15(12-17)10-13(2)18/h4-9,11-13H,3,10,18H2,1-2H3.
What are the key properties of 1-[3-(3-ethylphenoxy)phenyl]propan-2-amine?
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63942734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).