(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine

C15H17FN2 — CID 81405407

IUPAC(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@H](C)c1ccncc1)c1cccc(F)c1
InChIInChI=1S/C15H17FN2/c1-11(13-6-8-17-9-7-13)18-12(2)14-4-3-5-15(16)10-14/h3-12,18H,1-2H3/t11-,12?/m1/s1
InChIKeyIGQBEBXGMJXXFD-JHJMLUEUSA-N
MW244.31 g/mol
LogP3.63
Rot. Bonds4

About (1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine

(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 81405407) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is (1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID81405407
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@H](C)c1ccncc1)c1cccc(F)c1
InChIInChI=1S/C15H17FN2/c1-11(13-6-8-17-9-7-13)18-12(2)14-4-3-5-15(16)10-14/h3-12,18H,1-2H3/t11-,12?/m1/s1
InChIKeyIGQBEBXGMJXXFD-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-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
(1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81365246
(1R)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81367215
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881269
4-[1-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81365102

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine (CID 81405407) is (1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine is CC(N[C@H](C)c1ccncc1)c1cccc(F)c1.
What is the InChIKey of (1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is IGQBEBXGMJXXFD-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11(13-6-8-17-9-7-13)18-12(2)14-4-3-5-15(16)10-14/h3-12,18H,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
(1R)-N-[1-(3-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 (1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81405407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).