1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine

C15H17BrN2O — CID 107283449

IUPAC1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine
SMILESCc1ccc(Br)cc1OC(c1cccnc1)C(C)N
InChIInChI=1S/C15H17BrN2O/c1-10-5-6-13(16)8-14(10)19-15(11(2)17)12-4-3-7-18-9-12/h3-9,11,15H,17H2,1-2H3
InChIKeySLDQDMBQSTZHJI-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.62
Rot. Bonds4

About 1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine

1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine (PubChem CID 107283449) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine
PubChem CID107283449
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine
SMILESCc1ccc(Br)cc1OC(c1cccnc1)C(C)N
InChIInChI=1S/C15H17BrN2O/c1-10-5-6-13(16)8-14(10)19-15(11(2)17)12-4-3-7-18-9-12/h3-9,11,15H,17H2,1-2H3
InChIKeySLDQDMBQSTZHJI-UHFFFAOYSA-N
XLogP3.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-1-pyridin-3-ylpropoxy)-3,5-dimethylbenzonitrile
CID 65455818
1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine
CID 107283434
1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine
CID 114671825
3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107283479
1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine
CID 63461552
1-(5-bromo-2-methylphenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 107283412
4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline
CID 54864197
1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 55163071
2-(5-bromo-2-fluorophenoxy)-2-pyridin-3-ylethanamine
CID 114671799
1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine
CID 63459943
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230
1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine
CID 102980637

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine (CID 107283449) is 1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine is Cc1ccc(Br)cc1OC(c1cccnc1)C(C)N.
What is the InChIKey of 1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine?
The InChIKey is SLDQDMBQSTZHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-5-6-13(16)8-14(10)19-15(11(2)17)12-4-3-7-18-9-12/h3-9,11,15H,17H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine?
1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine has a molecular weight of 321.22 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 107283449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).