3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline

C18H15FN2 — CID 43608159

IUPAC3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline
SMILESFc1cccc(NC(c2ccccc2)c2ccncc2)c1
InChIInChI=1S/C18H15FN2/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-13,18,21H
InChIKeyZLMJEQPTHIWGPZ-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.42
Rot. Bonds4

About 3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline

3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline (PubChem CID 43608159) has the molecular formula C18H15FN2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline
PubChem CID43608159
Molecular FormulaC18H15FN2
Molecular Weight278.33 g/mol
Exact Mass278.12
IUPAC Name3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline
SMILESFc1cccc(NC(c2ccccc2)c2ccncc2)c1
InChIInChI=1S/C18H15FN2/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-13,18,21H
InChIKeyZLMJEQPTHIWGPZ-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Anabasine
CID 205586
Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
2-(3-Phenylpropyl)Pyridine
CID 459494
3-Phenylpyridine
CID 13886
(-)-Anatabine
CID 11388
4-(3-Phenylpropyl)pyridine
CID 74937
Lanicemine
CID 9794203
4-Benzylpyridine
CID 16458

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline?
The IUPAC name of 3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline (CID 43608159) is 3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline?
The canonical SMILES for 3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline is Fc1cccc(NC(c2ccccc2)c2ccncc2)c1.
What is the InChIKey of 3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline?
The InChIKey is ZLMJEQPTHIWGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-13,18,21H.
What are the key properties of 3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline?
3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline has a molecular weight of 278.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline is sourced from PubChem (CID 43608159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).