1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine

C16H19BrN2O — CID 107726928

IUPAC1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine
SMILESCc1cc(Oc2cncc(CC(C)N)c2)cc(C)c1Br
InChIInChI=1S/C16H19BrN2O/c1-10-4-14(5-11(2)16(10)17)20-15-7-13(6-12(3)18)8-19-9-15/h4-5,7-9,12H,6,18H2,1-3H3
InChIKeyOKDNBXWQVQYDSB-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.14
Rot. Bonds4

About 1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine

1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine (PubChem CID 107726928) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine
PubChem CID107726928
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine
SMILESCc1cc(Oc2cncc(CC(C)N)c2)cc(C)c1Br
InChIInChI=1S/C16H19BrN2O/c1-10-4-14(5-11(2)16(10)17)20-15-7-13(6-12(3)18)8-19-9-15/h4-5,7-9,12H,6,18H2,1-3H3
InChIKeyOKDNBXWQVQYDSB-UHFFFAOYSA-N
XLogP4.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 107726916
1-(3-pyridin-3-yloxyphenyl)propan-2-amine
CID 63941950
1-(5-fluoro-3-pyridinyl)propan-2-amine
CID 81020858
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
CID 107726942
1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 107661741
2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine
CID 113469863
3-methoxy-5-(2-methylpropyl)pyridine
CID 58531249
1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine
CID 81160569
(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 114330272
2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine
CID 107726956
1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639988
2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 107727015

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine (CID 107726928) is 1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine is Cc1cc(Oc2cncc(CC(C)N)c2)cc(C)c1Br.
What is the InChIKey of 1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine?
The InChIKey is OKDNBXWQVQYDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10-4-14(5-11(2)16(10)17)20-15-7-13(6-12(3)18)8-19-9-15/h4-5,7-9,12H,6,18H2,1-3H3.
What are the key properties of 1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine?
1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 107726928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).