N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine

C17H19F2N — CID 79691265

IUPACN-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(C)cc(F)c2)cc1F
InChIInChI=1S/C17H19F2N/c1-3-6-20-11-14-5-4-13(10-17(14)19)15-7-12(2)8-16(18)9-15/h4-5,7-10,20H,3,6,11H2,1-2H3
InChIKeyDAFZLDLBTBEKMW-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.44
Rot. Bonds5

About N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine

N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 79691265) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine
PubChem CID79691265
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(C)cc(F)c2)cc1F
InChIInChI=1S/C17H19F2N/c1-3-6-20-11-14-5-4-13(10-17(14)19)15-7-12(2)8-16(18)9-15/h4-5,7-10,20H,3,6,11H2,1-2H3
InChIKeyDAFZLDLBTBEKMW-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine
CID 54911581
1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine
CID 79690156
3-fluoro-4-(propylaminomethyl)aniline
CID 107796533
N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine
CID 66272311
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 63424801
N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 66007460
N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106879302
N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
CID 63975615
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 63424375
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 115504105

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine (CID 79691265) is N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2cc(C)cc(F)c2)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is DAFZLDLBTBEKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-3-6-20-11-14-5-4-13(10-17(14)19)15-7-12(2)8-16(18)9-15/h4-5,7-10,20H,3,6,11H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine?
N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 79691265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).