2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine

C15H17FN2 — CID 55168633

IUPAC2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESFc1ccc(CCNCCc2cccnc2)cc1
InChIInChI=1S/C15H17FN2/c16-15-5-3-13(4-6-15)7-10-17-11-8-14-2-1-9-18-12-14/h1-6,9,12,17H,7-8,10-11H2
InChIKeyQLSPXXMRRLFKCX-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.60
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine

2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine (PubChem CID 55168633) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
PubChem CID55168633
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESFc1ccc(CCNCCc2cccnc2)cc1
InChIInChI=1S/C15H17FN2/c16-15-5-3-13(4-6-15)7-10-17-11-8-14-2-1-9-18-12-14/h1-6,9,12,17H,7-8,10-11H2
InChIKeyQLSPXXMRRLFKCX-UHFFFAOYSA-N
XLogP2.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 60913065
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
CID 82257248
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
CID 114472077
2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762139
1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide
CID 110661344
N-ethyl-2-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347063
5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine
CID 23051567
(E)-4-chloro-N-(2-pyridin-3-ylethyl)but-2-en-1-amine
CID 81429262
2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169588

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine (CID 55168633) is 2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine is Fc1ccc(CCNCCc2cccnc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The InChIKey is QLSPXXMRRLFKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c16-15-5-3-13(4-6-15)7-10-17-11-8-14-2-1-9-18-12-14/h1-6,9,12,17H,7-8,10-11H2.
What are the key properties of 2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine has a molecular weight of 244.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 55168633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).