N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine

C15H16BrClN2O — CID 62321632

IUPACN-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(Oc2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C15H16BrClN2O/c1-10(2)18-9-14-13(17)6-7-15(19-14)20-12-5-3-4-11(16)8-12/h3-8,10,18H,9H2,1-2H3
InChIKeyUGSUQXKQSWMAJX-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.79
Rot. Bonds5

About N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine

N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62321632) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
PubChem CID62321632
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC NameN-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(Oc2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C15H16BrClN2O/c1-10(2)18-9-14-13(17)6-7-15(19-14)20-12-5-3-4-11(16)8-12/h3-8,10,18H,9H2,1-2H3
InChIKeyUGSUQXKQSWMAJX-UHFFFAOYSA-N
XLogP4.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 63487989
N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450240
N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323575
N-[[5-(3-bromophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80620198
N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295705
1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298099
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62298102
N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116803000
[3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol
CID 61255662
N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 66275955
N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine
CID 81325689
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine (CID 62321632) is N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1nc(Oc2cccc(Br)c2)ccc1Cl.
What is the InChIKey of N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is UGSUQXKQSWMAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-10(2)18-9-14-13(17)6-7-15(19-14)20-12-5-3-4-11(16)8-12/h3-8,10,18H,9H2,1-2H3.
What are the key properties of N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine?
N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 355.66 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62321632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).