1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine

C17H20FNO2 — CID 62337853

IUPAC1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine
SMILESCCOc1cccc(OC(c2ccccc2F)C(C)N)c1
InChIInChI=1S/C17H20FNO2/c1-3-20-13-7-6-8-14(11-13)21-17(12(2)19)15-9-4-5-10-16(15)18/h4-12,17H,3,19H2,1-2H3
InChIKeyWVZNJRHUSKSPPK-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.69
Rot. Bonds6

About 1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine

1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine (PubChem CID 62337853) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine
PubChem CID62337853
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine
SMILESCCOc1cccc(OC(c2ccccc2F)C(C)N)c1
InChIInChI=1S/C17H20FNO2/c1-3-20-13-7-6-8-14(11-13)21-17(12(2)19)15-9-4-5-10-16(15)18/h4-12,17H,3,19H2,1-2H3
InChIKeyWVZNJRHUSKSPPK-UHFFFAOYSA-N
XLogP3.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine
CID 62337254
1-(3-ethoxyphenoxy)-1-(3-fluorophenyl)propan-2-amine
CID 62338448
1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 82716782
2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine
CID 62337852
1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62785959
1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine
CID 62337452
1-(2-chlorophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55022859
1-(2-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55023034
3-(3-ethoxyphenoxy)butan-1-amine
CID 112507822
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine
CID 114208275

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine (CID 62337853) is 1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine is CCOc1cccc(OC(c2ccccc2F)C(C)N)c1.
What is the InChIKey of 1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is WVZNJRHUSKSPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-3-20-13-7-6-8-14(11-13)21-17(12(2)19)15-9-4-5-10-16(15)18/h4-12,17H,3,19H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine?
1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 289.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62337853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).