N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine

C18H21F2N — CID 106879353

IUPACN-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(F)cc(C)c1-c1ccc(F)c(CNC(C)C)c1
InChIInChI=1S/C18H21F2N/c1-11(2)21-10-15-9-14(5-6-17(15)20)18-12(3)7-16(19)8-13(18)4/h5-9,11,21H,10H2,1-4H3
InChIKeyNUTMHJSUPXTJOF-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.75
Rot. Bonds4

About N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine

N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 106879353) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine
PubChem CID106879353
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(F)cc(C)c1-c1ccc(F)c(CNC(C)C)c1
InChIInChI=1S/C18H21F2N/c1-11(2)21-10-15-9-14(5-6-17(15)20)18-12(3)7-16(19)8-13(18)4/h5-9,11,21H,10H2,1-4H3
InChIKeyNUTMHJSUPXTJOF-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 55166973
N-[[5-(3-bromophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 115503889
N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 79742526
N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 63019020
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 115504145
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]propan-2-amine
CID 63962668
N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 54980296
N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106879302
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911620
N-[[4-chloro-2-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502483

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine (CID 106879353) is N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine is Cc1cc(F)cc(C)c1-c1ccc(F)c(CNC(C)C)c1.
What is the InChIKey of N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is NUTMHJSUPXTJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-11(2)21-10-15-9-14(5-6-17(15)20)18-12(3)7-16(19)8-13(18)4/h5-9,11,21H,10H2,1-4H3.
What are the key properties of N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine?
N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 289.37 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 106879353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).