N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine

C14H15F2N3 — CID 63990262

IUPACN-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)c1cccc(F)c1F
InChIInChI=1S/C14H15F2N3/c1-2-6-19-14(12-9-17-7-8-18-12)10-4-3-5-11(15)13(10)16/h3-5,7-9,14,19H,2,6H2,1H3
InChIKeyTXRFFMGVUAHRPZ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.84
Rot. Bonds5

About N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine

N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 63990262) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID63990262
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)c1cccc(F)c1F
InChIInChI=1S/C14H15F2N3/c1-2-6-19-14(12-9-17-7-8-18-12)10-4-3-5-11(15)13(10)16/h3-5,7-9,14,19H,2,6H2,1H3
InChIKeyTXRFFMGVUAHRPZ-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62500611
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363
N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065627
N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 64713471
N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 106645388
N-[(6-methyl-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63970482
N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62965809
N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82733064
N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374736
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine (CID 63990262) is N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1cnccn1)c1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is TXRFFMGVUAHRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-2-6-19-14(12-9-17-7-8-18-12)10-4-3-5-11(15)13(10)16/h3-5,7-9,14,19H,2,6H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine?
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine has a molecular weight of 263.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 63990262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).