N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine

C16H18BrFN2O — CID 83232522

IUPACN-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C16H18BrFN2O/c1-10(2)19-8-12-6-11(3)16(20-9-12)21-13-4-5-15(18)14(17)7-13/h4-7,9-10,19H,8H2,1-3H3
InChIKeyKTEKEZUNACDZKK-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.58
Rot. Bonds5

About N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine

N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 83232522) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID83232522
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC NameN-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C16H18BrFN2O/c1-10(2)19-8-12-6-11(3)16(20-9-12)21-13-4-5-15(18)14(17)7-13/h4-7,9-10,19H,8H2,1-3H3
InChIKeyKTEKEZUNACDZKK-UHFFFAOYSA-N
XLogP4.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635290
N-[[6-(4-chloro-3-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82718259
N-[[6-(5-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 114674388
[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 83235140
N-[[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637433
N-[[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81315137
N-[[4-(3-bromo-4-fluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 83233350
N-[[3-(3-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105407504
N-[[5-bromo-2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 107170579
[6-(4-bromo-3-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628936
N-[[6-(2,3-dimethylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637091
N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 64854100

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine (CID 83232522) is N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cnc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is KTEKEZUNACDZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-10(2)19-8-12-6-11(3)16(20-9-12)21-13-4-5-15(18)14(17)7-13/h4-7,9-10,19H,8H2,1-3H3.
What are the key properties of N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 353.24 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 83232522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).