1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine

C14H18FN3O — CID 107168686

IUPAC1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCc1ccc(OC(c2cnn(C)c2)C(C)N)cc1F
InChIInChI=1S/C14H18FN3O/c1-9-4-5-12(6-13(9)15)19-14(10(2)16)11-7-17-18(3)8-11/h4-8,10,14H,16H2,1-3H3
InChIKeySGPPEBAWXZFHLZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.33
Rot. Bonds4

About 1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine

1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 107168686) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID107168686
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCc1ccc(OC(c2cnn(C)c2)C(C)N)cc1F
InChIInChI=1S/C14H18FN3O/c1-9-4-5-12(6-13(9)15)19-14(10(2)16)11-7-17-18(3)8-11/h4-8,10,14H,16H2,1-3H3
InChIKeySGPPEBAWXZFHLZ-UHFFFAOYSA-N
XLogP2.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine (CID 107168686) is 1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine is Cc1ccc(OC(c2cnn(C)c2)C(C)N)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is SGPPEBAWXZFHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9-4-5-12(6-13(9)15)19-14(10(2)16)11-7-17-18(3)8-11/h4-8,10,14H,16H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine?
1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 107168686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).