5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine

C15H17BrN2O2 — CID 133323967

IUPAC5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine
SMILESCOc1ccc(OC(C)CNc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H17BrN2O2/c1-11(9-17-15-8-3-12(16)10-18-15)20-14-6-4-13(19-2)5-7-14/h3-8,10-11H,9H2,1-2H3,(H,17,18)
InChIKeyYBSFMZGQAIOCPX-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.73
Rot. Bonds6

About 5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine

5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine (PubChem CID 133323967) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine
PubChem CID133323967
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine
SMILESCOc1ccc(OC(C)CNc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H17BrN2O2/c1-11(9-17-15-8-3-12(16)10-18-15)20-14-6-4-13(19-2)5-7-14/h3-8,10-11H,9H2,1-2H3,(H,17,18)
InChIKeyYBSFMZGQAIOCPX-UHFFFAOYSA-N
XLogP3.73
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(2-methoxyphenoxy)propyl]pyridin-2-amine
CID 133324265
5-bromo-N-(2-ethoxypropyl)pyridin-2-amine
CID 115658186
5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444684
5-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64597766
6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine
CID 133323999
N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303018
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine
CID 133323998
5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
CID 86054296
5-bromo-N-(6-methoxynaphthalen-2-yl)pyridin-2-amine
CID 115146533
N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine
CID 106505067
1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868273

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine (CID 133323967) is 5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine is COc1ccc(OC(C)CNc2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine?
The InChIKey is YBSFMZGQAIOCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-11(9-17-15-8-3-12(16)10-18-15)20-14-6-4-13(19-2)5-7-14/h3-8,10-11H,9H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine?
5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine has a molecular weight of 337.22 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine is sourced from PubChem (CID 133323967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).