N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine

C15H19ClFN3 — CID 134711922

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(CC(C)NCc2c(F)cccc2Cl)n1
InChIInChI=1S/C15H19ClFN3/c1-10-7-12(3)20(19-10)9-11(2)18-8-13-14(16)5-4-6-15(13)17/h4-7,11,18H,8-9H2,1-3H3
InChIKeyUFYITKMJFBVODE-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.47
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine

N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (PubChem CID 134711922) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
PubChem CID134711922
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(CC(C)NCc2c(F)cccc2Cl)n1
InChIInChI=1S/C15H19ClFN3/c1-10-7-12(3)20(19-10)9-11(2)18-8-13-14(16)5-4-6-15(13)17/h4-7,11,18H,8-9H2,1-3H3
InChIKeyUFYITKMJFBVODE-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43749140
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
2-[(2-chloro-6-fluorophenyl)methylamino]propane-1-thiol
CID 130205125
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 95191455
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882
N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452789
N-[(2-chloro-6-fluorophenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688164
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525787
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432724
4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide
CID 131930276

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (CID 134711922) is N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is Cc1cc(C)n(CC(C)NCc2c(F)cccc2Cl)n1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The InChIKey is UFYITKMJFBVODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-10-7-12(3)20(19-10)9-11(2)18-8-13-14(16)5-4-6-15(13)17/h4-7,11,18H,8-9H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine has a molecular weight of 295.79 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 134711922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).