1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine

C15H20BrN3O — CID 102946267

IUPAC1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
SMILESCCc1cc(COc2cc(Br)ccc2C(C)N)n(C)n1
InChIInChI=1S/C15H20BrN3O/c1-4-12-8-13(19(3)18-12)9-20-15-7-11(16)5-6-14(15)10(2)17/h5-8,10H,4,9,17H2,1-3H3
InChIKeyAPWMYCMHLXZPAM-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.34
Rot. Bonds5

About 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine

1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 102946267) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID102946267
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
SMILESCCc1cc(COc2cc(Br)ccc2C(C)N)n(C)n1
InChIInChI=1S/C15H20BrN3O/c1-4-12-8-13(19(3)18-12)9-20-15-7-11(16)5-6-14(15)10(2)17/h5-8,10H,4,9,17H2,1-3H3
InChIKeyAPWMYCMHLXZPAM-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948377
(1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 102946545
(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025613
(1R)-1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 102946771
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236
1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999104
(1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine
CID 102946838
5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-4-fluoroaniline
CID 103482784
(1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine
CID 79025599
1-[4-bromo-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 102946440
(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
CID 102946671
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine (CID 102946267) is 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine is CCc1cc(COc2cc(Br)ccc2C(C)N)n(C)n1.
What is the InChIKey of 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is APWMYCMHLXZPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-12-8-13(19(3)18-12)9-20-15-7-11(16)5-6-14(15)10(2)17/h5-8,10H,4,9,17H2,1-3H3.
What are the key properties of 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine?
1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102946267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).