(1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine

C15H20BrN3O — CID 102946545

IUPAC(1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(C)n1ccc(COc2cc(Br)ccc2[C@@H](C)N)n1
InChIInChI=1S/C15H20BrN3O/c1-10(2)19-7-6-13(18-19)9-20-15-8-12(16)4-5-14(15)11(3)17/h4-8,10-11H,9,17H2,1-3H3/t11-/m1/s1
InChIKeyULMJENHRIISMBO-LLVKDONJSA-N
MW338.25 g/mol
LogP3.83
Rot. Bonds5

About (1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine

(1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 102946545) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID102946545
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name(1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(C)n1ccc(COc2cc(Br)ccc2[C@@H](C)N)n1
InChIInChI=1S/C15H20BrN3O/c1-10(2)19-7-6-13(18-19)9-20-15-8-12(16)4-5-14(15)11(3)17/h4-8,10-11H,9,17H2,1-3H3/t11-/m1/s1
InChIKeyULMJENHRIISMBO-LLVKDONJSA-N
XLogP3.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773584
3-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772922
5-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 64772330
1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 102946267
(1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine
CID 102946838
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 102946292
(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79000441
(1R)-1-[4-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 102946677
(1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 102946674
3-[(2-bromo-5-fluorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 81496305
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236
(1R)-1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 102946771

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine (CID 102946545) is (1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine is CC(C)n1ccc(COc2cc(Br)ccc2[C@@H](C)N)n1.
What is the InChIKey of (1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is ULMJENHRIISMBO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-10(2)19-7-6-13(18-19)9-20-15-8-12(16)4-5-14(15)11(3)17/h4-8,10-11H,9,17H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
(1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102946545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).