5-bromo-3-(1-phenylpropoxy)pyridin-2-amine

C14H15BrN2O — CID 164859806

IUPAC5-bromo-3-(1-phenylpropoxy)pyridin-2-amine
SMILESCCC(Oc1cc(Br)cnc1N)c1ccccc1
InChIInChI=1S/C14H15BrN2O/c1-2-12(10-6-4-3-5-7-10)18-13-8-11(15)9-17-14(13)16/h3-9,12H,2H2,1H3,(H2,16,17)
InChIKeyVFXQVSNMYBRCNZ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.96
Rot. Bonds4

About 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine

5-bromo-3-(1-phenylpropoxy)pyridin-2-amine (PubChem CID 164859806) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(1-phenylpropoxy)pyridin-2-amine
PubChem CID164859806
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name5-bromo-3-(1-phenylpropoxy)pyridin-2-amine
SMILESCCC(Oc1cc(Br)cnc1N)c1ccccc1
InChIInChI=1S/C14H15BrN2O/c1-2-12(10-6-4-3-5-7-10)18-13-8-11(15)9-17-14(13)16/h3-9,12H,2H2,1H3,(H2,16,17)
InChIKeyVFXQVSNMYBRCNZ-UHFFFAOYSA-N
XLogP3.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine
CID 170429171
5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine
CID 123369518
5-bromo-3-[1-(2-methoxyphenyl)ethoxy]pyridin-2-amine
CID 170429337
5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
CID 164858696
5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine
CID 164858653
methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
CID 175100899
5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine
CID 62305722
3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 146212259
5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine
CID 170429363
2-chloro-4-(1-phenylpropoxy)aniline
CID 89382790
5-bromo-3-[(1S)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395748
5-bromo-3-[(1R)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395746

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine (CID 164859806) is 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine is CCC(Oc1cc(Br)cnc1N)c1ccccc1.
What is the InChIKey of 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine?
The InChIKey is VFXQVSNMYBRCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-12(10-6-4-3-5-7-10)18-13-8-11(15)9-17-14(13)16/h3-9,12H,2H2,1H3,(H2,16,17).
What are the key properties of 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine?
5-bromo-3-(1-phenylpropoxy)pyridin-2-amine has a molecular weight of 307.19 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-phenylpropoxy)pyridin-2-amine is sourced from PubChem (CID 164859806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).