1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

C13H15BrFN3 — CID 105025271

IUPAC1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1cccc(F)c1Br
InChIInChI=1S/C13H15BrFN3/c1-16-12(8-9-6-7-18(2)17-9)10-4-3-5-11(15)13(10)14/h3-7,12,16H,8H2,1-2H3
InChIKeyJNFGODLURQPDCZ-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.82
Rot. Bonds4

About 1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 105025271) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID105025271
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1cccc(F)c1Br
InChIInChI=1S/C13H15BrFN3/c1-16-12(8-9-6-7-18(2)17-9)10-4-3-5-11(15)13(10)14/h3-7,12,16H,8H2,1-2H3
InChIKeyJNFGODLURQPDCZ-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114024237
N-methyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine
CID 82876005
1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025688
1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114030234
1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 105025395
1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876754
1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877389
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)-N-methylethanamine
CID 104998054
1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830097
N-[1-(3-bromo-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 107953506
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
3-[3-bromo-2-(2-fluorophenyl)propyl]-1-methylpyrazole
CID 82871989

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 105025271) is 1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C)n1)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is JNFGODLURQPDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-16-12(8-9-6-7-18(2)17-9)10-4-3-5-11(15)13(10)14/h3-7,12,16H,8H2,1-2H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 312.19 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105025271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).