N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine

C19H24FN — CID 81431793

IUPACN-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(C)c(C)cc(C)c2C)c(F)c1
InChIInChI=1S/C19H24FN/c1-6-21-11-16-7-8-17(18(20)10-16)19-14(4)12(2)9-13(3)15(19)5/h7-10,21H,6,11H2,1-5H3
InChIKeyDYKQEPMZPMDRKN-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.84
Rot. Bonds4

About N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine

N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine (PubChem CID 81431793) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine
PubChem CID81431793
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(C)c(C)cc(C)c2C)c(F)c1
InChIInChI=1S/C19H24FN/c1-6-21-11-16-7-8-17(18(20)10-16)19-14(4)12(2)9-13(3)15(19)5/h7-10,21H,6,11H2,1-5H3
InChIKeyDYKQEPMZPMDRKN-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 81447877
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441068
N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81446751
N-[[3-fluoro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106681131
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
CID 81447965
N-[[4-(4-fluoro-2,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106879378
N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106882243
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
CID 81447039
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 79991736
N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 81447834
N-[[4-(3-chlorophenyl)-3-fluorophenyl]methyl]ethanamine
CID 81447435

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine (CID 81431793) is N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2c(C)c(C)cc(C)c2C)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine?
The InChIKey is DYKQEPMZPMDRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-6-21-11-16-7-8-17(18(20)10-16)19-14(4)12(2)9-13(3)15(19)5/h7-10,21H,6,11H2,1-5H3.
What are the key properties of N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine?
N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine has a molecular weight of 285.41 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 81431793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).