N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine

C16H17F2NO — CID 43283333

IUPACN-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2cccc(F)c2)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-11(2)19-10-12-6-7-16(15(18)8-12)20-14-5-3-4-13(17)9-14/h3-9,11,19H,10H2,1-2H3
InChIKeyUQYQJBMEOHADGO-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.26
Rot. Bonds5

About N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine

N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine (PubChem CID 43283333) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
PubChem CID43283333
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC NameN-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2cccc(F)c2)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-11(2)19-10-12-6-7-16(15(18)8-12)20-14-5-3-4-13(17)9-14/h3-9,11,19H,10H2,1-2H3
InChIKeyUQYQJBMEOHADGO-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
CID 43283192
N-[[4-(3-bromo-5-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 81315502
N-[[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 65200944
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine
CID 43283656
N-[[4-chloro-2-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855809
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
CID 28946122
N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552724
N-[[3-(2,3-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63943700
N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62321474
2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol
CID 71240329
N-[[4-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283633

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine (CID 43283333) is N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(Oc2cccc(F)c2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is UQYQJBMEOHADGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(2)19-10-12-6-7-16(15(18)8-12)20-14-5-3-4-13(17)9-14/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine?
N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 277.31 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43283333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).