5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline

C14H14F2N2 — CID 113354817

IUPAC5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
SMILESCc1ccc(F)cc1NC(C)c1cncc(F)c1
InChIInChI=1S/C14H14F2N2/c1-9-3-4-12(15)6-14(9)18-10(2)11-5-13(16)8-17-7-11/h3-8,10,18H,1-2H3
InChIKeyHQVSYUGXGDGSBM-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.84
Rot. Bonds3

About 5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline

5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline (PubChem CID 113354817) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
PubChem CID113354817
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
SMILESCc1ccc(F)cc1NC(C)c1cncc(F)c1
InChIInChI=1S/C14H14F2N2/c1-9-3-4-12(15)6-14(9)18-10(2)11-5-13(16)8-17-7-11/h3-8,10,18H,1-2H3
InChIKeyHQVSYUGXGDGSBM-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline
CID 103935877
5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
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4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile
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CID 43093379
5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43097181
N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43102776
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114080544
5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43104040
N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide
CID 103935529
4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
CID 103930885

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline?
The IUPAC name of 5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline (CID 113354817) is 5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline.
What is the SMILES notation for 5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline?
The canonical SMILES for 5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline is Cc1ccc(F)cc1NC(C)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline?
The InChIKey is HQVSYUGXGDGSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-9-3-4-12(15)6-14(9)18-10(2)11-5-13(16)8-17-7-11/h3-8,10,18H,1-2H3.
What are the key properties of 5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline?
5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline has a molecular weight of 248.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline is sourced from PubChem (CID 113354817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).