N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine

C17H20FN — CID 81446751

IUPACN-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(C)cc2C)c(F)c1
InChIInChI=1S/C17H20FN/c1-4-19-11-14-6-8-16(17(18)10-14)15-7-5-12(2)9-13(15)3/h5-10,19H,4,11H2,1-3H3
InChIKeyFHADNDRYYGAMHY-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.22
Rot. Bonds4

About N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine

N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine (PubChem CID 81446751) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
PubChem CID81446751
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(C)cc2C)c(F)c1
InChIInChI=1S/C17H20FN/c1-4-19-11-14-6-8-16(17(18)10-14)15-7-5-12(2)9-13(15)3/h5-10,19H,4,11H2,1-3H3
InChIKeyFHADNDRYYGAMHY-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2,4-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 81446952
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441068
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
CID 81447965
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-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine
CID 81431793
N-[[3-fluoro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106681131
N-[[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]methyl]ethanamine
CID 79742796
N-[[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 81447877
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[4-(4-fluoro-2,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106879378
N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 81447834

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine (CID 81446751) is N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine is CCNCc1ccc(-c2ccc(C)cc2C)c(F)c1.
What is the InChIKey of N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine?
The InChIKey is FHADNDRYYGAMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-4-19-11-14-6-8-16(17(18)10-14)15-7-5-12(2)9-13(15)3/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine?
N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.22, 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-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 81446751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).