(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine

C15H17FN2 — CID 81367216

IUPAC(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
SMILESCC(N[C@H](C)c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C15H17FN2/c1-11(13-6-5-7-14(16)10-13)18-12(2)15-8-3-4-9-17-15/h3-12,18H,1-2H3/t11-,12?/m1/s1
InChIKeyKAUIIRYCWPQPHA-JHJMLUEUSA-N
MW244.31 g/mol
LogP3.63
Rot. Bonds4

About (1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine

(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine (PubChem CID 81367216) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
PubChem CID81367216
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
SMILESCC(N[C@H](C)c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C15H17FN2/c1-11(13-6-5-7-14(16)10-13)18-12(2)15-8-3-4-9-17-15/h3-12,18H,1-2H3/t11-,12?/m1/s1
InChIKeyKAUIIRYCWPQPHA-JHJMLUEUSA-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

1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
(1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81365246
(1R)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81367215
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401331
3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile
CID 43767322
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
N-[1-(2,5-difluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 43202625
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
1-(2-chloro-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401324
1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 103931399
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine?
The IUPAC name of (1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine (CID 81367216) is (1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine is CC(N[C@H](C)c1cccc(F)c1)c1ccccn1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine?
The InChIKey is KAUIIRYCWPQPHA-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11(13-6-5-7-14(16)10-13)18-12(2)15-8-3-4-9-17-15/h3-12,18H,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine?
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine 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 (1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine is sourced from PubChem (CID 81367216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).