N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine

C16H18FN — CID 115502833

IUPACN-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(F)c2C)cc1
InChIInChI=1S/C16H18FN/c1-3-18-11-13-7-9-14(10-8-13)15-5-4-6-16(17)12(15)2/h4-10,18H,3,11H2,1-2H3
InChIKeyDMIAOAOPERNYSJ-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.91
Rot. Bonds4

About N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine

N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine (PubChem CID 115502833) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine
PubChem CID115502833
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC NameN-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(F)c2C)cc1
InChIInChI=1S/C16H18FN/c1-3-18-11-13-7-9-14(10-8-13)15-5-4-6-16(17)12(15)2/h4-10,18H,3,11H2,1-2H3
InChIKeyDMIAOAOPERNYSJ-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
CID 115503166
1-fluoro-3-(4-fluorophenyl)-2-methylbenzene
CID 46313945
1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one
CID 115502807
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine
CID 63989003
N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 64985239
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-ethyl-4-[3-[4-(3-fluoro-2-methylphenyl)phenyl]-2-methylazetidin-1-yl]butan-1-amine
CID 145176958
N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732508
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
CID 81447039
N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine
CID 105395732

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine (CID 115502833) is N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2cccc(F)c2C)cc1.
What is the InChIKey of N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine?
The InChIKey is DMIAOAOPERNYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-18-11-13-7-9-14(10-8-13)15-5-4-6-16(17)12(15)2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine?
N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine has a molecular weight of 243.32 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 115502833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).