N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine

C15H16F2N2O — CID 82769634

IUPACN-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cn1)c1cc(F)ccc1OC
InChIInChI=1S/C15H16F2N2O/c1-3-18-15(13-6-4-11(17)9-19-13)12-8-10(16)5-7-14(12)20-2/h4-9,15,18H,3H2,1-2H3
InChIKeyROYSCCDVSPTMLC-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.07
Rot. Bonds5

About N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine

N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine (PubChem CID 82769634) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
PubChem CID82769634
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cn1)c1cc(F)ccc1OC
InChIInChI=1S/C15H16F2N2O/c1-3-18-15(13-6-4-11(17)9-19-13)12-8-10(16)5-7-14(12)20-2/h4-9,15,18H,3H2,1-2H3
InChIKeyROYSCCDVSPTMLC-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-pyridinyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79722906
N-[(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethyl]ethanamine
CID 82770974
N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82769775
N-[(5-fluoro-2-methoxyphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105176560
N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 107503890
N-[(5-fluoro-2-methoxyphenyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 82769949
N-[(5-fluoro-2-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105176637
N-[(5-fluoro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82769072
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176578
N-[(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492196
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722028
N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79712293

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine (CID 82769634) is N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine is CCNC(c1ccc(F)cn1)c1cc(F)ccc1OC.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine?
The InChIKey is ROYSCCDVSPTMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-3-18-15(13-6-4-11(17)9-19-13)12-8-10(16)5-7-14(12)20-2/h4-9,15,18H,3H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine?
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine has a molecular weight of 278.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 82769634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).