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

C16H18FN — CID 81447039

IUPACN-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(C)c2)c(F)c1
InChIInChI=1S/C16H18FN/c1-3-18-11-13-7-8-15(16(17)10-13)14-6-4-5-12(2)9-14/h4-10,18H,3,11H2,1-2H3
InChIKeyDAOOQDMOXBJSRW-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.91
Rot. Bonds4

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

N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine (PubChem CID 81447039) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
PubChem CID81447039
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC NameN-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(C)c2)c(F)c1
InChIInChI=1S/C16H18FN/c1-3-18-11-13-7-8-15(16(17)10-13)14-6-4-5-12(2)9-14/h4-10,18H,3,11H2,1-2H3
InChIKeyDAOOQDMOXBJSRW-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-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447432
N-[[4-(3-chlorophenyl)-3-fluorophenyl]methyl]ethanamine
CID 81447435
N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81446751
2-fluoro-4-methyl-1-(3-methylphenyl)benzene
CID 142157742
N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine
CID 62963734
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 107514099
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441068
N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine
CID 81431793
N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine
CID 63989003
N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine
CID 81441574
2-(3-fluoro-4-phenylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 58190266
N-[[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 81447877

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine (CID 81447039) is N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2cccc(C)c2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine?
The InChIKey is DAOOQDMOXBJSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-18-11-13-7-8-15(16(17)10-13)14-6-4-5-12(2)9-14/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine?
N-[[3-fluoro-4-(3-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-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 81447039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).