(1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine

C14H16FN3 — CID 81365246

IUPAC(1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
SMILESCC(N[C@@H](C)c1cccc(F)c1)c1cnccn1
InChIInChI=1S/C14H16FN3/c1-10(12-4-3-5-13(15)8-12)18-11(2)14-9-16-6-7-17-14/h3-11,18H,1-2H3/t10-,11?/m0/s1
InChIKeyPIUPFXMIHUXQLZ-VUWPPUDQSA-N
MW245.30 g/mol
LogP3.03
Rot. Bonds4

About (1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine

(1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine (PubChem CID 81365246) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
PubChem CID81365246
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name(1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
SMILESCC(N[C@@H](C)c1cccc(F)c1)c1cnccn1
InChIInChI=1S/C14H16FN3/c1-10(12-4-3-5-13(15)8-12)18-11(2)14-9-16-6-7-17-14/h3-11,18H,1-2H3/t10-,11?/m0/s1
InChIKeyPIUPFXMIHUXQLZ-VUWPPUDQSA-N
XLogP3.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81367215
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
(1S)-1-(4-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81347549
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
(1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81379851
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(1S)-1-(3-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81365467
(1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113486927
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine (CID 81365246) is (1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine is CC(N[C@@H](C)c1cccc(F)c1)c1cnccn1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine?
The InChIKey is PIUPFXMIHUXQLZ-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10(12-4-3-5-13(15)8-12)18-11(2)14-9-16-6-7-17-14/h3-11,18H,1-2H3/t10-,11?/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine?
(1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine has a molecular weight of 245.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine is sourced from PubChem (CID 81365246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).