1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine

C16H18F2N2O — CID 116790211

IUPAC1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCC(F)(F)c2ccccc2)cn1
InChIInChI=1S/C16H18F2N2O/c1-12(19)9-14-7-8-15(10-20-14)21-11-16(17,18)13-5-3-2-4-6-13/h2-8,10,12H,9,11,19H2,1H3
InChIKeyLNZPNVMKJMDYNP-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.14
Rot. Bonds6

About 1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine

1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine (PubChem CID 116790211) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine
PubChem CID116790211
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCC(F)(F)c2ccccc2)cn1
InChIInChI=1S/C16H18F2N2O/c1-12(19)9-14-7-8-15(10-20-14)21-11-16(17,18)13-5-3-2-4-6-13/h2-8,10,12H,9,11,19H2,1H3
InChIKeyLNZPNVMKJMDYNP-UHFFFAOYSA-N
XLogP3.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine (CID 116790211) is 1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine is CC(N)Cc1ccc(OCC(F)(F)c2ccccc2)cn1.
What is the InChIKey of 1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine?
The InChIKey is LNZPNVMKJMDYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-12(19)9-14-7-8-15(10-20-14)21-11-16(17,18)13-5-3-2-4-6-13/h2-8,10,12H,9,11,19H2,1H3.
What are the key properties of 1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine?
1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine has a molecular weight of 292.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-difluoro-2-phenylethoxy)-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 116790211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).