1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine

C15H19ClFN3 — CID 63024203

IUPAC1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cnn(C)c1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFN3/c1-3-18-12(7-11-9-19-20(2)10-11)8-13-14(16)5-4-6-15(13)17/h4-6,9-10,12,18H,3,7-8H2,1-2H3
InChIKeyGYIGNKVJJXBOCT-UHFFFAOYSA-N
MW295.79 g/mol
LogP2.98
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine

1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 63024203) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID63024203
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cnn(C)c1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFN3/c1-3-18-12(7-11-9-19-20(2)10-11)8-13-14(16)5-4-6-15(13)17/h4-6,9-10,12,18H,3,7-8H2,1-2H3
InChIKeyGYIGNKVJJXBOCT-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 63024204
1-(2-chloro-6-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63023518
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821272
N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126115
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 64559283
1-(5-bromo-3-pyridinyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 104801929
1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79523145
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 82789190
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 63420097

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine (CID 63024203) is 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine is CCNC(Cc1cnn(C)c1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is GYIGNKVJJXBOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-3-18-12(7-11-9-19-20(2)10-11)8-13-14(16)5-4-6-15(13)17/h4-6,9-10,12,18H,3,7-8H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine has a molecular weight of 295.79 g/mol, XLogP of 2.98, 6 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-3-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 63024203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).