(1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine

C14H16FN3 — CID 81379851

IUPAC(1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
SMILESCC(N[C@H](C)c1ccccc1F)c1cnccn1
InChIInChI=1S/C14H16FN3/c1-10(12-5-3-4-6-13(12)15)18-11(2)14-9-16-7-8-17-14/h3-11,18H,1-2H3/t10-,11?/m1/s1
InChIKeyMBTWXMHDYGFMKL-NFJWQWPMSA-N
MW245.30 g/mol
LogP3.03
Rot. Bonds4

About (1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine

(1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine (PubChem CID 81379851) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
PubChem CID81379851
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name(1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
SMILESCC(N[C@H](C)c1ccccc1F)c1cnccn1
InChIInChI=1S/C14H16FN3/c1-10(12-5-3-4-6-13(12)15)18-11(2)14-9-16-7-8-17-14/h3-11,18H,1-2H3/t10-,11?/m1/s1
InChIKeyMBTWXMHDYGFMKL-NFJWQWPMSA-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

Analyze (1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(4-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81347549
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81380816
(1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81365246
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62500611
(1R)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81367215
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
N-[1-(2,5-difluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 43202625
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
3-fluoro-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 107714620
(1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine
CID 97108308

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine?
The IUPAC name of (1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine (CID 81379851) is (1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine is CC(N[C@H](C)c1ccccc1F)c1cnccn1.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine?
The InChIKey is MBTWXMHDYGFMKL-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10(12-5-3-4-6-13(12)15)18-11(2)14-9-16-7-8-17-14/h3-11,18H,1-2H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine?
(1R)-1-(2-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 (1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine is sourced from PubChem (CID 81379851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).