3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline

C14H14ClFN2 — CID 83118152

IUPAC3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(F)cn2)cc1Cl
InChIInChI=1S/C14H14ClFN2/c1-9-3-5-12(7-13(9)15)18-10(2)14-6-4-11(16)8-17-14/h3-8,10,18H,1-2H3
InChIKeyPGGUVNXHLFXBSF-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.36
Rot. Bonds3

About 3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline

3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline (PubChem CID 83118152) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline
PubChem CID83118152
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(F)cn2)cc1Cl
InChIInChI=1S/C14H14ClFN2/c1-9-3-5-12(7-13(9)15)18-10(2)14-6-4-11(16)8-17-14/h3-8,10,18H,1-2H3
InChIKeyPGGUVNXHLFXBSF-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline
CID 83117987
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline
CID 83118189
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863
2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118233
2,5-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117985
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile
CID 107788261
[(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methyl]hydrazine
CID 107562414
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline
CID 83118093

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline (CID 83118152) is 3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline is Cc1ccc(NC(C)c2ccc(F)cn2)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline?
The InChIKey is PGGUVNXHLFXBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-9-3-5-12(7-13(9)15)18-10(2)14-6-4-11(16)8-17-14/h3-8,10,18H,1-2H3.
What are the key properties of 3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline?
3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline has a molecular weight of 264.73 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline is sourced from PubChem (CID 83118152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).