2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine

C14H17Cl2N3 — CID 65200586

IUPAC2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1ccn(C)n1
InChIInChI=1S/C14H17Cl2N3/c1-3-17-14(13-7-8-19(2)18-13)9-10-11(15)5-4-6-12(10)16/h4-8,14,17H,3,9H2,1-2H3
InChIKeyPSKGDCSVVHNZCN-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.62
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine

2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 65200586) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID65200586
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1ccn(C)n1
InChIInChI=1S/C14H17Cl2N3/c1-3-17-14(13-7-8-19(2)18-13)9-10-11(15)5-4-6-12(10)16/h4-8,14,17H,3,9H2,1-2H3
InChIKeyPSKGDCSVVHNZCN-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
2-(2,4-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200540
N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200329
2-(2,6-dichlorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
CID 62602818
2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200168
N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65479181
2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988550
N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103130891
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878097
N-ethyl-N',N'-dimethyl-1-(1-methylpyrazol-3-yl)propane-1,3-diamine
CID 103131264
N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine
CID 65200857
[2-(2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228751

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine (CID 65200586) is 2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine is CCNC(Cc1c(Cl)cccc1Cl)c1ccn(C)n1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is PSKGDCSVVHNZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-3-17-14(13-7-8-19(2)18-13)9-10-11(15)5-4-6-12(10)16/h4-8,14,17H,3,9H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine?
2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 65200586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).