N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine

C16H17F2NO — CID 62450377

IUPACN-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H17F2NO/c1-2-19-10-12-3-5-13(6-4-12)11-20-16-8-7-14(17)9-15(16)18/h3-9,19H,2,10-11H2,1H3
InChIKeyWITNUEFRQQKMFJ-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.65
Rot. Bonds6

About N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine

N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine (PubChem CID 62450377) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
PubChem CID62450377
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC NameN-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H17F2NO/c1-2-19-10-12-3-5-13(6-4-12)11-20-16-8-7-14(17)9-15(16)18/h3-9,19H,2,10-11H2,1H3
InChIKeyWITNUEFRQQKMFJ-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 71052508
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
N-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817
N-[[4-[(3,5-dimethylphenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686901
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63046886
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695461
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62449654
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533262

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine (CID 62450377) is N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine is CCNCc1ccc(COc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine?
The InChIKey is WITNUEFRQQKMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-2-19-10-12-3-5-13(6-4-12)11-20-16-8-7-14(17)9-15(16)18/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine?
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62450377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).