N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine

C15H17FN2 — CID 81380816

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@H](C)c1ccccc1F)c1ccncc1
InChIInChI=1S/C15H17FN2/c1-11(13-7-9-17-10-8-13)18-12(2)14-5-3-4-6-15(14)16/h3-12,18H,1-2H3/t11?,12-/m1/s1
InChIKeyZNEPNVDMNGEEEM-PIJUOVFKSA-N
MW244.31 g/mol
LogP3.63
Rot. Bonds4

About N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine

N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 81380816) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID81380816
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@H](C)c1ccccc1F)c1ccncc1
InChIInChI=1S/C15H17FN2/c1-11(13-7-9-17-10-8-13)18-12(2)14-5-3-4-6-15(14)16/h3-12,18H,1-2H3/t11?,12-/m1/s1
InChIKeyZNEPNVDMNGEEEM-PIJUOVFKSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81355146
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate
CID 99820464
(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-1-pyridin-4-ylethanamine
CID 28666055
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
(1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405415
(1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81379851
1-(2-fluorophenyl)-N-methyl-2-pyridin-4-ylpropan-1-amine
CID 66446959
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine (CID 81380816) is N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine is CC(N[C@H](C)c1ccccc1F)c1ccncc1.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is ZNEPNVDMNGEEEM-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11(13-7-9-17-10-8-13)18-12(2)14-5-3-4-6-15(14)16/h3-12,18H,1-2H3/t11?,12-/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine has a molecular weight of 244.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81380816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).