N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine

C17H19F2NO — CID 63273146

IUPACN-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COc1cc(F)ccc1F
InChIInChI=1S/C17H19F2NO/c1-2-9-20-11-13-5-3-4-6-14(13)12-21-17-10-15(18)7-8-16(17)19/h3-8,10,20H,2,9,11-12H2,1H3
InChIKeyFGDSXPHEICZNOW-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.04
Rot. Bonds7

About N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine

N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine (PubChem CID 63273146) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine
PubChem CID63273146
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COc1cc(F)ccc1F
InChIInChI=1S/C17H19F2NO/c1-2-9-20-11-13-5-3-4-6-14(13)12-21-17-10-15(18)7-8-16(17)19/h3-8,10,20H,2,9,11-12H2,1H3
InChIKeyFGDSXPHEICZNOW-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.04
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

N-[[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 102986344
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
N-[[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847805
N-[[4-[(2,5-difluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80722105
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 114676831
N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450280
N-[[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62451825
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722045
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361
N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine (CID 63273146) is N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1COc1cc(F)ccc1F.
What is the InChIKey of N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is FGDSXPHEICZNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-2-9-20-11-13-5-3-4-6-14(13)12-21-17-10-15(18)7-8-16(17)19/h3-8,10,20H,2,9,11-12H2,1H3.
What are the key properties of N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine?
N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 291.34 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63273146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).