N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine

C16H18F2N2O — CID 81253500

IUPACN-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(Oc2ccc(F)cc2F)c(CNC(C)C)cn1
InChIInChI=1S/C16H18F2N2O/c1-10(2)19-8-12-9-20-11(3)6-16(12)21-15-5-4-13(17)7-14(15)18/h4-7,9-10,19H,8H2,1-3H3
InChIKeyULJNJQYKXUGFAQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.96
Rot. Bonds5

About N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine

N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81253500) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID81253500
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(Oc2ccc(F)cc2F)c(CNC(C)C)cn1
InChIInChI=1S/C16H18F2N2O/c1-10(2)19-8-12-9-20-11(3)6-16(12)21-15-5-4-13(17)7-14(15)18/h4-7,9-10,19H,8H2,1-3H3
InChIKeyULJNJQYKXUGFAQ-UHFFFAOYSA-N
XLogP3.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81250922
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81253176
[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81254597
N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552724
1-[4-(2-fluorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250425
N-[[4-(2-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81254110
N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250262
N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 55166973
N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81255097
N-[[2-(2-bromo-4-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83186680
N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314137
N-[[4-[(5-bromo-3-pyridinyl)oxy]-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81251108

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine (CID 81253500) is N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(Oc2ccc(F)cc2F)c(CNC(C)C)cn1.
What is the InChIKey of N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is ULJNJQYKXUGFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-10(2)19-8-12-9-20-11(3)6-16(12)21-15-5-4-13(17)7-14(15)18/h4-7,9-10,19H,8H2,1-3H3.
What are the key properties of N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 292.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81253500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).