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

C15H16F2N2O — CID 105391187

IUPACN-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2ccc(F)cc2)c1F
InChIInChI=1S/C15H16F2N2O/c1-10(2)19-9-11-7-8-18-15(14(11)17)20-13-5-3-12(16)4-6-13/h3-8,10,19H,9H2,1-2H3
InChIKeyFUPVIYLNGNCKBL-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.65
Rot. Bonds5

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

N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105391187) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID105391187
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC NameN-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2ccc(F)cc2)c1F
InChIInChI=1S/C15H16F2N2O/c1-10(2)19-9-11-7-8-18-15(14(11)17)20-13-5-3-12(16)4-6-13/h3-8,10,19H,9H2,1-2H3
InChIKeyFUPVIYLNGNCKBL-UHFFFAOYSA-N
XLogP3.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine
CID 105390794
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391755
N-[[3-fluoro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391100
N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine
CID 105390901
3-[[3-fluoro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 105391234
N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105390852
N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
CID 103180864
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391560
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81250922
1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105391129
N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
N-[[2-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297086

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine (CID 105391187) is N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(Oc2ccc(F)cc2)c1F.
What is the InChIKey of N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is FUPVIYLNGNCKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-10(2)19-9-11-7-8-18-15(14(11)17)20-13-5-3-12(16)4-6-13/h3-8,10,19H,9H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 278.30 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105391187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).