N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine

C15H15BrClFN2O — CID 114928025

IUPACN-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Oc2ccc(F)cc2Br)ncc1Cl
InChIInChI=1S/C15H15BrClFN2O/c1-9(2)19-7-10-5-15(20-8-13(10)17)21-14-4-3-11(18)6-12(14)16/h3-6,8-9,19H,7H2,1-2H3
InChIKeyNBGRGZQOFALMEA-UHFFFAOYSA-N
MW373.65 g/mol
LogP4.93
Rot. Bonds5

About N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine

N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine (PubChem CID 114928025) has the molecular formula C15H15BrClFN2O and a molecular weight of 373.65 g/mol. Its IUPAC name is N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
PubChem CID114928025
Molecular FormulaC15H15BrClFN2O
Molecular Weight373.65 g/mol
Exact Mass372.00
IUPAC NameN-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Oc2ccc(F)cc2Br)ncc1Cl
InChIInChI=1S/C15H15BrClFN2O/c1-9(2)19-7-10-5-15(20-8-13(10)17)21-14-4-3-11(18)6-12(14)16/h3-6,8-9,19H,7H2,1-2H3
InChIKeyNBGRGZQOFALMEA-UHFFFAOYSA-N
XLogP4.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.65
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-bromo-3-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928803
N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928325
N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928315
N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 114928898
N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43282598
N-[[2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297430
N-[[2-(2-bromo-4-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83186680
N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928733
N-[[5-chloro-2-(3,5-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928496
N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314300
N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322902
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine (CID 114928025) is N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(Oc2ccc(F)cc2Br)ncc1Cl.
What is the InChIKey of N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is NBGRGZQOFALMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN2O/c1-9(2)19-7-10-5-15(20-8-13(10)17)21-14-4-3-11(18)6-12(14)16/h3-6,8-9,19H,7H2,1-2H3.
What are the key properties of N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 373.65 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114928025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).