2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine

C16H18FNO — CID 55015460

IUPAC2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine
SMILESCCc1cccc(OC(CN)c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO/c1-2-12-4-3-5-15(10-12)19-16(11-18)13-6-8-14(17)9-7-13/h3-10,16H,2,11,18H2,1H3
InChIKeyBCQTVNUDDXSSJH-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.47
Rot. Bonds5

About 2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine

2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine (PubChem CID 55015460) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine
PubChem CID55015460
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine
SMILESCCc1cccc(OC(CN)c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO/c1-2-12-4-3-5-15(10-12)19-16(11-18)13-6-8-14(17)9-7-13/h3-10,16H,2,11,18H2,1H3
InChIKeyBCQTVNUDDXSSJH-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 83133763
2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 107656314
1-(3-chloro-1-phenylpropoxy)-3-ethylbenzene
CID 112501878
ethane;1-ethyl-3-(1-fluoroethoxy)benzene
CID 170603835
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396
2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
CID 55015152
2-(4-ethyl-2-methoxyphenoxy)-2-(3-fluorophenyl)ethanamine
CID 107663995
2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine
CID 63461761
1-(3-ethylphenoxy)ethanol
CID 66709778
1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
CID 63984561
(2R)-3-(3-ethylphenoxy)-2-methylpropan-1-amine
CID 93264285
1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 43105896

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine (CID 55015460) is 2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine is CCc1cccc(OC(CN)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine?
The InChIKey is BCQTVNUDDXSSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-12-4-3-5-15(10-12)19-16(11-18)13-6-8-14(17)9-7-13/h3-10,16H,2,11,18H2,1H3.
What are the key properties of 2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine?
2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 55015460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).