1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine

C17H22FN3 — CID 115938501

IUPAC1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCCC(Nc1ccc(N(C)C)cc1C)c1ccc(F)cn1
InChIInChI=1S/C17H22FN3/c1-5-15(17-8-6-13(18)11-19-17)20-16-9-7-14(21(3)4)10-12(16)2/h6-11,15,20H,5H2,1-4H3
InChIKeyNOZLIQWDCNFJTJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.16
Rot. Bonds5

About 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine

1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine (PubChem CID 115938501) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
PubChem CID115938501
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCCC(Nc1ccc(N(C)C)cc1C)c1ccc(F)cn1
InChIInChI=1S/C17H22FN3/c1-5-15(17-8-6-13(18)11-19-17)20-16-9-7-14(21(3)4)10-12(16)2/h6-11,15,20H,5H2,1-4H3
InChIKeyNOZLIQWDCNFJTJ-UHFFFAOYSA-N
XLogP4.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine (CID 115938501) is 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine is CCC(Nc1ccc(N(C)C)cc1C)c1ccc(F)cn1.
What is the InChIKey of 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The InChIKey is NOZLIQWDCNFJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-5-15(17-8-6-13(18)11-19-17)20-16-9-7-14(21(3)4)10-12(16)2/h6-11,15,20H,5H2,1-4H3.
What are the key properties of 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine has a molecular weight of 287.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine is sourced from PubChem (CID 115938501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).