5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine

C15H17BrN2O — CID 115402628

IUPAC5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine
SMILESCC(C)c1cc(Br)ccc1OCc1ccc(N)nc1
InChIInChI=1S/C15H17BrN2O/c1-10(2)13-7-12(16)4-5-14(13)19-9-11-3-6-15(17)18-8-11/h3-8,10H,9H2,1-2H3,(H2,17,18)
InChIKeyRKRDKNYMIDPKHL-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.13
Rot. Bonds4

About 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine

5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine (PubChem CID 115402628) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine
PubChem CID115402628
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine
SMILESCC(C)c1cc(Br)ccc1OCc1ccc(N)nc1
InChIInChI=1S/C15H17BrN2O/c1-10(2)13-7-12(16)4-5-14(13)19-9-11-3-6-15(17)18-8-11/h3-8,10H,9H2,1-2H3,(H2,17,18)
InChIKeyRKRDKNYMIDPKHL-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 115402080
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061966
3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol
CID 113302917
5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine
CID 79403787
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 113303014
5-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 62193709
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine
CID 113302926
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
CID 115402665
5-bromo-2-[(4-propan-2-ylphenyl)methoxy]aniline
CID 65430532
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 115402332
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 115402732

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine (CID 115402628) is 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine is CC(C)c1cc(Br)ccc1OCc1ccc(N)nc1.
What is the InChIKey of 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The InChIKey is RKRDKNYMIDPKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10(2)13-7-12(16)4-5-14(13)19-9-11-3-6-15(17)18-8-11/h3-8,10H,9H2,1-2H3,(H2,17,18).
What are the key properties of 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine?
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 115402628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).