ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine

C17H23FN2O — CID 170582374

IUPACethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine
SMILESCC.COc1cc(C(C)(C)N)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O.C2H6/c1-15(2,17)11-8-13(18-14(9-11)19-3)10-4-6-12(16)7-5-10;1-2/h4-9H,17H2,1-3H3;1-2H3
InChIKeyPCPFOKHHRLALJX-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.12
Rot. Bonds3

About ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine

ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine (PubChem CID 170582374) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine.

Molecular Properties

Compound Nameethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine
PubChem CID170582374
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Nameethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine
SMILESCC.COc1cc(C(C)(C)N)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O.C2H6/c1-15(2,17)11-8-13(18-14(9-11)19-3)10-4-6-12(16)7-5-10;1-2/h4-9H,17H2,1-3H3;1-2H3
InChIKeyPCPFOKHHRLALJX-UHFFFAOYSA-N
XLogP4.12
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine?
The IUPAC name of ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine (CID 170582374) is ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine.
What is the SMILES notation for ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine?
The canonical SMILES for ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine is CC.COc1cc(C(C)(C)N)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine?
The InChIKey is PCPFOKHHRLALJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O.C2H6/c1-15(2,17)11-8-13(18-14(9-11)19-3)10-4-6-12(16)7-5-10;1-2/h4-9H,17H2,1-3H3;1-2H3.
What are the key properties of ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine?
ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine has a molecular weight of 290.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine is sourced from PubChem (CID 170582374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).