N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine

C15H14F3N — CID 61032625

IUPACN-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C15H14F3N/c1-2-19-9-11-7-10(3-6-14(11)17)13-5-4-12(16)8-15(13)18/h3-8,19H,2,9H2,1H3
InChIKeyYSRDEYACKAXJEP-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.88
Rot. Bonds4

About N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine

N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine (PubChem CID 61032625) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
PubChem CID61032625
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C15H14F3N/c1-2-19-9-11-7-10(3-6-14(11)17)13-5-4-12(16)8-15(13)18/h3-8,19H,2,9H2,1H3
InChIKeyYSRDEYACKAXJEP-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835
N-[[5-(2,5-difluorophenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 61032745
N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032524
N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 63424375
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026
N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine
CID 79485450
4-(2,4-difluorophenyl)-2-ethylphenol
CID 59810220
N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 116810961
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine (CID 61032625) is N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine is CCNCc1cc(-c2ccc(F)cc2F)ccc1F.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine?
The InChIKey is YSRDEYACKAXJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-2-19-9-11-7-10(3-6-14(11)17)13-5-4-12(16)8-15(13)18/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine?
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine has a molecular weight of 265.28 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 61032625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).