1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine

C17H20FNO — CID 114872809

IUPAC1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine
SMILESCCOc1cccc(C(N)(CC)c2cccc(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-3-17(19,13-7-5-9-15(18)11-13)14-8-6-10-16(12-14)20-4-2/h5-12H,3-4,19H2,1-2H3
InChIKeyPSWRGESQZPWBKO-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.84
Rot. Bonds5

About 1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine

1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine (PubChem CID 114872809) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine
PubChem CID114872809
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine
SMILESCCOc1cccc(C(N)(CC)c2cccc(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-3-17(19,13-7-5-9-15(18)11-13)14-8-6-10-16(12-14)20-4-2/h5-12H,3-4,19H2,1-2H3
InChIKeyPSWRGESQZPWBKO-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethoxyphenyl)methanetriamine
CID 142802456
1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine
CID 114872623
1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine
CID 114872694
1-(3-fluorophenyl)-1-(2-methylphenyl)propan-1-amine
CID 114872777
1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine
CID 114872751
(2R)-2-(3-ethoxyphenyl)butan-2-ol
CID 97048472
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine
CID 106941629
1-[bromo(diethoxy)methyl]-3-fluorobenzene
CID 66965298
(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
CID 141126419

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine (CID 114872809) is 1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine is CCOc1cccc(C(N)(CC)c2cccc(F)c2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is PSWRGESQZPWBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-17(19,13-7-5-9-15(18)11-13)14-8-6-10-16(12-14)20-4-2/h5-12H,3-4,19H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine?
1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114872809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).