1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine

C16H19FN2 — CID 83125513

IUPAC1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine
SMILESCc1ccc(C)c(CC(C)(N)c2ccc(F)cn2)c1
InChIInChI=1S/C16H19FN2/c1-11-4-5-12(2)13(8-11)9-16(3,18)15-7-6-14(17)10-19-15/h4-8,10H,9,18H2,1-3H3
InChIKeyUSWDMDJCXZGIDD-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.25
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine

1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine (PubChem CID 83125513) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine
PubChem CID83125513
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine
SMILESCc1ccc(C)c(CC(C)(N)c2ccc(F)cn2)c1
InChIInChI=1S/C16H19FN2/c1-11-4-5-12(2)13(8-11)9-16(3,18)15-7-6-14(17)10-19-15/h4-8,10H,9,18H2,1-3H3
InChIKeyUSWDMDJCXZGIDD-UHFFFAOYSA-N
XLogP3.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine (CID 83125513) is 1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine is Cc1ccc(C)c(CC(C)(N)c2ccc(F)cn2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine?
The InChIKey is USWDMDJCXZGIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11-4-5-12(2)13(8-11)9-16(3,18)15-7-6-14(17)10-19-15/h4-8,10H,9,18H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine?
1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine has a molecular weight of 258.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 83125513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).