N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine

C15H15FN2 — CID 54911922

IUPACN-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine
SMILESFc1cc(-c2cccnc2)ccc1CNC1CC1
InChIInChI=1S/C15H15FN2/c16-15-8-11(12-2-1-7-17-9-12)3-4-13(15)10-18-14-5-6-14/h1-4,7-9,14,18H,5-6,10H2
InChIKeyLIBICAWRIWBXKK-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.14
Rot. Bonds4

About N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine

N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine (PubChem CID 54911922) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine
PubChem CID54911922
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC NameN-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine
SMILESFc1cc(-c2cccnc2)ccc1CNC1CC1
InChIInChI=1S/C15H15FN2/c16-15-8-11(12-2-1-7-17-9-12)3-4-13(15)10-18-14-5-6-14/h1-4,7-9,14,18H,5-6,10H2
InChIKeyLIBICAWRIWBXKK-UHFFFAOYSA-N
XLogP3.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.14
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-3-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine (CID 54911922) is N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine is Fc1cc(-c2cccnc2)ccc1CNC1CC1.
What is the InChIKey of N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine?
The InChIKey is LIBICAWRIWBXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c16-15-8-11(12-2-1-7-17-9-12)3-4-13(15)10-18-14-5-6-14/h1-4,7-9,14,18H,5-6,10H2.
What are the key properties of N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine?
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine has a molecular weight of 242.30 g/mol, XLogP of 3.14, 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-3-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 54911922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).