1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine

C14H18BrN3 — CID 113434466

IUPAC1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCC(NCCc1ccn(C)n1)c1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-11(13-5-3-4-6-14(13)15)16-9-7-12-8-10-18(2)17-12/h3-6,8,10-11,16H,7,9H2,1-2H3
InChIKeyBLWMGJGNAVPVEF-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.08
Rot. Bonds5

About 1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine

1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine (PubChem CID 113434466) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
PubChem CID113434466
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCC(NCCc1ccn(C)n1)c1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-11(13-5-3-4-6-14(13)15)16-9-7-12-8-10-18(2)17-12/h3-6,8,10-11,16H,7,9H2,1-2H3
InChIKeyBLWMGJGNAVPVEF-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104626268
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629058
4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106104315
[1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105208608
1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 113374917
1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897398
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104626269
1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629143
1-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
CID 43193148
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106104199
1-(2-bromophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203676

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine (CID 113434466) is 1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine is CC(NCCc1ccn(C)n1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The InChIKey is BLWMGJGNAVPVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-11(13-5-3-4-6-14(13)15)16-9-7-12-8-10-18(2)17-12/h3-6,8,10-11,16H,7,9H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 113434466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).