3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline

C16H18FN3O — CID 174762954

IUPAC3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline
SMILESCc1ccc(N)cc1-c1ccnc(N2CCOC(F)C2)c1
InChIInChI=1S/C16H18FN3O/c1-11-2-3-13(18)9-14(11)12-4-5-19-16(8-12)20-6-7-21-15(17)10-20/h2-5,8-9,15H,6-7,10,18H2,1H3
InChIKeyAWRYVZPRDHPEKL-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.77
Rot. Bonds2

About 3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline

3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline (PubChem CID 174762954) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline.

Molecular Properties

Compound Name3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline
PubChem CID174762954
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline
SMILESCc1ccc(N)cc1-c1ccnc(N2CCOC(F)C2)c1
InChIInChI=1S/C16H18FN3O/c1-11-2-3-13(18)9-14(11)12-4-5-19-16(8-12)20-6-7-21-15(17)10-20/h2-5,8-9,15H,6-7,10,18H2,1H3
InChIKeyAWRYVZPRDHPEKL-UHFFFAOYSA-N
XLogP2.77
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline?
The IUPAC name of 3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline (CID 174762954) is 3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline.
What is the SMILES notation for 3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline?
The canonical SMILES for 3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline is Cc1ccc(N)cc1-c1ccnc(N2CCOC(F)C2)c1.
What is the InChIKey of 3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline?
The InChIKey is AWRYVZPRDHPEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11-2-3-13(18)9-14(11)12-4-5-19-16(8-12)20-6-7-21-15(17)10-20/h2-5,8-9,15H,6-7,10,18H2,1H3.
What are the key properties of 3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline?
3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline has a molecular weight of 287.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline is sourced from PubChem (CID 174762954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).