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

C14H18BrN3 — CID 65200168

IUPAC2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccccc1Br)c1ccn(C)n1
InChIInChI=1S/C14H18BrN3/c1-3-16-14(13-8-9-18(2)17-13)10-11-6-4-5-7-12(11)15/h4-9,14,16H,3,10H2,1-2H3
InChIKeyWYXPHOMYZQQDKU-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.08
Rot. Bonds5

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

2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 65200168) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID65200168
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccccc1Br)c1ccn(C)n1
InChIInChI=1S/C14H18BrN3/c1-3-16-14(13-8-9-18(2)17-13)10-11-6-4-5-7-12(11)15/h4-9,14,16H,3,10H2,1-2H3
InChIKeyWYXPHOMYZQQDKU-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-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200329
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200283
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200586
2-(2,4-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200540
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65197614
N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65479181
N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine
CID 65200268
N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103130891
N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135731
[2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228693

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine (CID 65200168) is 2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccccc1Br)c1ccn(C)n1.
What is the InChIKey of 2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is WYXPHOMYZQQDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-16-14(13-8-9-18(2)17-13)10-11-6-4-5-7-12(11)15/h4-9,14,16H,3,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine?
2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)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 2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 65200168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).