N-benzyl-2-(2,5-difluorophenoxy)ethanamine

C15H15F2NO — CID 63273196

IUPACN-benzyl-2-(2,5-difluorophenoxy)ethanamine
SMILESFc1ccc(F)c(OCCNCc2ccccc2)c1
InChIInChI=1S/C15H15F2NO/c16-13-6-7-14(17)15(10-13)19-9-8-18-11-12-4-2-1-3-5-12/h1-7,10,18H,8-9,11H2
InChIKeyHBOXFRQCDQLQOB-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.13
Rot. Bonds6

About N-benzyl-2-(2,5-difluorophenoxy)ethanamine

N-benzyl-2-(2,5-difluorophenoxy)ethanamine (PubChem CID 63273196) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is N-benzyl-2-(2,5-difluorophenoxy)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(2,5-difluorophenoxy)ethanamine
PubChem CID63273196
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC NameN-benzyl-2-(2,5-difluorophenoxy)ethanamine
SMILESFc1ccc(F)c(OCCNCc2ccccc2)c1
InChIInChI=1S/C15H15F2NO/c16-13-6-7-14(17)15(10-13)19-9-8-18-11-12-4-2-1-3-5-12/h1-7,10,18H,8-9,11H2
InChIKeyHBOXFRQCDQLQOB-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-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39362846
2-[3-(benzylamino)propoxy]-5-fluorobenzonitrile
CID 114783165
N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 62571624
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 68827135
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
CID 63273332
2-[2-fluoro-4-[3-fluoro-4-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]phenoxy]-N-[(3-fluorophenyl)methyl]ethanamine
CID 67810816
2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63273329
N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine
CID 82353872
4-[3-(benzylamino)propoxy]-3-fluorobenzonitrile
CID 114783255
N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
CID 114782944

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,5-difluorophenoxy)ethanamine?
The IUPAC name of N-benzyl-2-(2,5-difluorophenoxy)ethanamine (CID 63273196) is N-benzyl-2-(2,5-difluorophenoxy)ethanamine.
What is the SMILES notation for N-benzyl-2-(2,5-difluorophenoxy)ethanamine?
The canonical SMILES for N-benzyl-2-(2,5-difluorophenoxy)ethanamine is Fc1ccc(F)c(OCCNCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-(2,5-difluorophenoxy)ethanamine?
The InChIKey is HBOXFRQCDQLQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-13-6-7-14(17)15(10-13)19-9-8-18-11-12-4-2-1-3-5-12/h1-7,10,18H,8-9,11H2.
What are the key properties of N-benzyl-2-(2,5-difluorophenoxy)ethanamine?
N-benzyl-2-(2,5-difluorophenoxy)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 N-benzyl-2-(2,5-difluorophenoxy)ethanamine is sourced from PubChem (CID 63273196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).