N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine

C16H16F3N — CID 81441068

IUPACN-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(C)c(F)cc2F)c(F)c1
InChIInChI=1S/C16H16F3N/c1-3-20-9-11-4-5-12(15(18)7-11)13-6-10(2)14(17)8-16(13)19/h4-8,20H,3,9H2,1-2H3
InChIKeyYPWSJQMFNPJFBN-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.19
Rot. Bonds4

About N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine

N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine (PubChem CID 81441068) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
PubChem CID81441068
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(C)c(F)cc2F)c(F)c1
InChIInChI=1S/C16H16F3N/c1-3-20-9-11-4-5-12(15(18)7-11)13-6-10(2)14(17)8-16(13)19/h4-8,20H,3,9H2,1-2H3
InChIKeyYPWSJQMFNPJFBN-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81446751
N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine
CID 81431793
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
CID 81447965
N-[[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 81447877
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106888969
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
CID 81447039
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 81447834
N-[[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]methyl]ethanamine
CID 79742796
N-[[3-fluoro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106681131
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
CID 115503166

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine (CID 81441068) is N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine is CCNCc1ccc(-c2cc(C)c(F)cc2F)c(F)c1.
What is the InChIKey of N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine?
The InChIKey is YPWSJQMFNPJFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-3-20-9-11-4-5-12(15(18)7-11)13-6-10(2)14(17)8-16(13)19/h4-8,20H,3,9H2,1-2H3.
What are the key properties of N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine?
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 81441068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).