1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine

C14H17F2N3 — CID 105025395

IUPAC1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCNC(Cc1ccn(C)n1)Cc1c(F)cccc1F
InChIInChI=1S/C14H17F2N3/c1-17-11(8-10-6-7-19(2)18-10)9-12-13(15)4-3-5-14(12)16/h3-7,11,17H,8-9H2,1-2H3
InChIKeyXJXORGMLIBHSBB-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine

1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine (PubChem CID 105025395) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
PubChem CID105025395
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCNC(Cc1ccn(C)n1)Cc1c(F)cccc1F
InChIInChI=1S/C14H17F2N3/c1-17-11(8-10-6-7-19(2)18-10)9-12-13(15)4-3-5-14(12)16/h3-7,11,17H,8-9H2,1-2H3
InChIKeyXJXORGMLIBHSBB-UHFFFAOYSA-N
XLogP2.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 105025553
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82877670
1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025688
1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025271
1-methoxy-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876638
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82877543
1-(2,6-difluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-2-amine
CID 105023533
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876191
N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82877070
N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 82877634
1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114932067
3-[3-chloro-2-(2-fluorophenyl)propyl]-1-methylpyrazole
CID 82871988

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine (CID 105025395) is 1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine is CNC(Cc1ccn(C)n1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
The InChIKey is XJXORGMLIBHSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-17-11(8-10-6-7-19(2)18-10)9-12-13(15)4-3-5-14(12)16/h3-7,11,17H,8-9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine has a molecular weight of 265.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 105025395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).