2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine

C15H15F2NO — CID 39362846

IUPAC2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(CNCCOc2ccccc2F)cc1
InChIInChI=1S/C15H15F2NO/c16-13-7-5-12(6-8-13)11-18-9-10-19-15-4-2-1-3-14(15)17/h1-8,18H,9-11H2
InChIKeyBFIXKEMILZJAKA-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.13
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine

2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 39362846) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID39362846
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(CNCCOc2ccccc2F)cc1
InChIInChI=1S/C15H15F2NO/c16-13-7-5-12(6-8-13)11-18-9-10-19-15-4-2-1-3-14(15)17/h1-8,18H,9-11H2
InChIKeyBFIXKEMILZJAKA-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 68827135
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
N-benzyl-2-(2,5-difluorophenoxy)ethanamine
CID 63273196
N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 28879092
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
2-(2-fluorophenoxy)ethylhydrazine
CID 82125131
N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 62571624
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 60689845
3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 131938810
2-[2-fluoro-4-[3-fluoro-4-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]phenoxy]-N-[(3-fluorophenyl)methyl]ethanamine
CID 67810816

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine (CID 39362846) is 2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine is Fc1ccc(CNCCOc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is BFIXKEMILZJAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-13-7-5-12(6-8-13)11-18-9-10-19-15-4-2-1-3-14(15)17/h1-8,18H,9-11H2.
What are the key properties of 2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 39362846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).