1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine

C14H17ClFN3 — CID 115821272

IUPAC1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFN3/c1-3-17-13(7-10-8-18-19(2)9-10)14-11(15)5-4-6-12(14)16/h4-6,8-9,13,17H,3,7H2,1-2H3
InChIKeyKMMUQJFEMAMNEL-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.11
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine

1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 115821272) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID115821272
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFN3/c1-3-17-13(7-10-8-18-19(2)9-10)14-11(15)5-4-6-12(14)16/h4-6,8-9,13,17H,3,7H2,1-2H3
InChIKeyKMMUQJFEMAMNEL-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79523145
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63024203
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 103444657
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011269
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839919
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 103040265
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001881
N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 115821504
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61066458
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
1-(2-chloro-6-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63023518
N-ethyl-2-(1-methylpyrazol-4-yl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 63556140

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 115821272) is 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine is CCNC(Cc1cnn(C)c1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is KMMUQJFEMAMNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-3-17-13(7-10-8-18-19(2)9-10)14-11(15)5-4-6-12(14)16/h4-6,8-9,13,17H,3,7H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 281.76 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115821272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).