2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine

C15H16FNO — CID 163407569

IUPAC2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine
SMILESCc1cc(OCCN)ccc1-c1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c1-11-10-14(18-9-8-17)6-7-15(11)12-2-4-13(16)5-3-12/h2-7,10H,8-9,17H2,1H3
InChIKeyJQMGRAQGJNUXJF-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.14
Rot. Bonds4

About 2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine

2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine (PubChem CID 163407569) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine
PubChem CID163407569
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine
SMILESCc1cc(OCCN)ccc1-c1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c1-11-10-14(18-9-8-17)6-7-15(11)12-2-4-13(16)5-3-12/h2-7,10H,8-9,17H2,1H3
InChIKeyJQMGRAQGJNUXJF-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride
CID 163407566
2-fluoro-4-[9-[3-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]phenoxy]nonoxy]-1-[4-(4-fluorophenyl)-3-methylphenyl]benzene
CID 118260681
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
2-fluoro-4-[11-[3-fluoro-4-(4-fluorophenyl)phenoxy]-6-methylundecoxy]-1-(4-fluorophenyl)benzene
CID 122542657
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
2-[4-[5,8,11,20-tetrakis[4-(2-aminoethoxy)phenyl]-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]phenoxy]ethanamine
CID 176747721
2-(4-fluorophenoxy)-4-[4-(2-iodoethoxy)-2-methylphenyl]benzoic acid
CID 143190656
1,9-bis[3-fluoro-4-(4-fluorophenyl)phenoxy]nonan-5-ol
CID 122542539
4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene
CID 21281407
4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine (CID 163407569) is 2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine is Cc1cc(OCCN)ccc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine?
The InChIKey is JQMGRAQGJNUXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-10-14(18-9-8-17)6-7-15(11)12-2-4-13(16)5-3-12/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine?
2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine has a molecular weight of 245.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine is sourced from PubChem (CID 163407569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).