6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine

C18H15ClFN3 — CID 58717096

IUPAC6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine
SMILESC[C@H](Nc1cncc(-c2ccc(F)c(Cl)c2)n1)c1ccccc1
InChIInChI=1S/C18H15ClFN3/c1-12(13-5-3-2-4-6-13)22-18-11-21-10-17(23-18)14-7-8-16(20)15(19)9-14/h2-12H,1H3,(H,22,23)/t12-/m0/s1
InChIKeyRFIUIAZAFIACRE-LBPRGKRZSA-N
MW327.79 g/mol
LogP5.11
Rot. Bonds4

About 6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine

6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine (PubChem CID 58717096) has the molecular formula C18H15ClFN3 and a molecular weight of 327.79 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine
PubChem CID58717096
Molecular FormulaC18H15ClFN3
Molecular Weight327.79 g/mol
Exact Mass327.09
IUPAC Name6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine
SMILESC[C@H](Nc1cncc(-c2ccc(F)c(Cl)c2)n1)c1ccccc1
InChIInChI=1S/C18H15ClFN3/c1-12(13-5-3-2-4-6-13)22-18-11-21-10-17(23-18)14-7-8-16(20)15(19)9-14/h2-12H,1H3,(H,22,23)/t12-/m0/s1
InChIKeyRFIUIAZAFIACRE-LBPRGKRZSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.79
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine
CID 142832215
N-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine
CID 130325370
2-N-(1-phenylethyl)pyrazine-2,6-diamine
CID 78988844
5-N-(3-chloro-4-fluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949132
N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine
CID 60716470
6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol
CID 135525328
N-(3-chloro-4-fluorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156144
methane;2-methoxy-4-[6-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazin-2-yl]phenol
CID 158200755
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 55181591
N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170168
N-[(1S)-1-(4-bromophenyl)ethyl]-6-chloropyrazin-2-amine
CID 58934266

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine (CID 58717096) is 6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine is C[C@H](Nc1cncc(-c2ccc(F)c(Cl)c2)n1)c1ccccc1.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine?
The InChIKey is RFIUIAZAFIACRE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15ClFN3/c1-12(13-5-3-2-4-6-13)22-18-11-21-10-17(23-18)14-7-8-16(20)15(19)9-14/h2-12H,1H3,(H,22,23)/t12-/m0/s1.
What are the key properties of 6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine?
6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine has a molecular weight of 327.79 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine is sourced from PubChem (CID 58717096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).