N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine

C17H19F2NO — CID 63552912

IUPACN-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccccc1Oc1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-12(2)10-20-11-13-5-3-4-6-16(13)21-17-8-7-14(18)9-15(17)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyVDUMRFQZWGSMAA-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.50
Rot. Bonds6

About N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63552912) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63552912
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccccc1Oc1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-12(2)10-20-11-13-5-3-4-6-16(13)21-17-8-7-14(18)9-15(17)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyVDUMRFQZWGSMAA-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-fluoro-2-(2-fluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63551058
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107285197
N-[2-(2,4-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62450002
N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553106
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283629
N-[[3-(4-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075484
N-[[4-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81254245
N-[[2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323270
N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 54880707
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283630
N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66451593

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 63552912) is N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is VDUMRFQZWGSMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-12(2)10-20-11-13-5-3-4-6-16(13)21-17-8-7-14(18)9-15(17)19/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.34 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63552912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).