N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine

C15H17FN2 — CID 61077044

IUPACN-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccncc2)cc1F
InChIInChI=1S/C15H17FN2/c1-11(2)18-10-14-4-3-13(9-15(14)16)12-5-7-17-8-6-12/h3-9,11,18H,10H2,1-2H3
InChIKeyUJJIMFYFZDWKEL-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.39
Rot. Bonds4

About N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine

N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine (PubChem CID 61077044) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine
PubChem CID61077044
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccncc2)cc1F
InChIInChI=1S/C15H17FN2/c1-11(2)18-10-14-4-3-13(9-15(14)16)12-5-7-17-8-6-12/h3-9,11,18H,10H2,1-2H3
InChIKeyUJJIMFYFZDWKEL-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine (CID 61077044) is N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine is CC(C)NCc1ccc(-c2ccncc2)cc1F.
What is the InChIKey of N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine?
The InChIKey is UJJIMFYFZDWKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11(2)18-10-14-4-3-13(9-15(14)16)12-5-7-17-8-6-12/h3-9,11,18H,10H2,1-2H3.
What are the key properties of N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine?
N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine has a molecular weight of 244.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 61077044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).