N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine

C16H16F3NO — CID 82791869

IUPACN-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1cccc(OC)c1F
InChIInChI=1S/C16H16F3NO/c1-3-20-16(10-7-11(17)9-12(18)8-10)13-5-4-6-14(21-2)15(13)19/h4-9,16,20H,3H2,1-2H3
InChIKeyKSHLJRGATISUKL-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.81
Rot. Bonds5

About N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine

N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine (PubChem CID 82791869) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
PubChem CID82791869
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1cccc(OC)c1F
InChIInChI=1S/C16H16F3NO/c1-3-20-16(10-7-11(17)9-12(18)8-10)13-5-4-6-14(21-2)15(13)19/h4-9,16,20H,3H2,1-2H3
InChIKeyKSHLJRGATISUKL-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-3-methoxyphenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 82791784
N-[(3,5-dibromophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 107976931
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105024887
N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807477
N-[(2-fluoro-3-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 82791652
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791876
N-[(5-bromo-2-methoxyphenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 43487867
N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-[(2-fluoro-3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 82808028
N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 82808349

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine (CID 82791869) is N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine is CCNC(c1cc(F)cc(F)c1)c1cccc(OC)c1F.
What is the InChIKey of N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is KSHLJRGATISUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-3-20-16(10-7-11(17)9-12(18)8-10)13-5-4-6-14(21-2)15(13)19/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 82791869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).