1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine

C14H18FN3 — CID 114834047

IUPAC1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCn1ccc(CC(C)(N)Cc2cccc(F)c2)n1
InChIInChI=1S/C14H18FN3/c1-14(16,10-13-6-7-18(2)17-13)9-11-4-3-5-12(15)8-11/h3-8H,9-10,16H2,1-2H3
InChIKeyNKJIWUUCOYKDSN-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.06
Rot. Bonds4

About 1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine

1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine (PubChem CID 114834047) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
PubChem CID114834047
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCn1ccc(CC(C)(N)Cc2cccc(F)c2)n1
InChIInChI=1S/C14H18FN3/c1-14(16,10-13-6-7-18(2)17-13)9-11-4-3-5-12(15)8-11/h3-8H,9-10,16H2,1-2H3
InChIKeyNKJIWUUCOYKDSN-UHFFFAOYSA-N
XLogP2.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol
CID 103130348
2-(3-fluorophenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 82868856
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 114834111
1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834058
1-(2,3-dihydro-1H-inden-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834039
1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114833945
2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82870218
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-[2-[1-(3-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine
CID 82155466

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine (CID 114834047) is 1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine is Cn1ccc(CC(C)(N)Cc2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
The InChIKey is NKJIWUUCOYKDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-14(16,10-13-6-7-18(2)17-13)9-11-4-3-5-12(15)8-11/h3-8H,9-10,16H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 114834047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).