N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine

C17H20FN — CID 63424375

IUPACN-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2cc(C)cc(C)c2)ccc1F
InChIInChI=1S/C17H20FN/c1-4-19-11-16-10-14(5-6-17(16)18)15-8-12(2)7-13(3)9-15/h5-10,19H,4,11H2,1-3H3
InChIKeyPUJOPKKKUJMCLZ-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.22
Rot. Bonds4

About N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine

N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine (PubChem CID 63424375) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
PubChem CID63424375
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2cc(C)cc(C)c2)ccc1F
InChIInChI=1S/C17H20FN/c1-4-19-11-16-10-14(5-6-17(16)18)15-8-12(2)7-13(3)9-15/h5-10,19H,4,11H2,1-3H3
InChIKeyPUJOPKKKUJMCLZ-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

N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 62587369
N-[[5-(3,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61026053
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[2-fluoro-5-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425036
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 63424801
N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine
CID 103341614

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine (CID 63424375) is N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine is CCNCc1cc(-c2cc(C)cc(C)c2)ccc1F.
What is the InChIKey of N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine?
The InChIKey is PUJOPKKKUJMCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-4-19-11-16-10-14(5-6-17(16)18)15-8-12(2)7-13(3)9-15/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine?
N-[[5-(3,5-dimethylphenyl)-2-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-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 63424375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).