N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine

C16H18FN — CID 79691626

IUPACN-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-c1cc(C)cc(F)c1
InChIInChI=1S/C16H18FN/c1-3-18-11-13-6-4-5-7-16(13)14-8-12(2)9-15(17)10-14/h4-10,18H,3,11H2,1-2H3
InChIKeyIDMSNPSWAANING-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.91
Rot. Bonds4

About N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine

N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine (PubChem CID 79691626) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
PubChem CID79691626
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC NameN-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-c1cc(C)cc(F)c1
InChIInChI=1S/C16H18FN/c1-3-18-11-13-6-4-5-7-16(13)14-8-12(2)9-15(17)10-14/h4-10,18H,3,11H2,1-2H3
InChIKeyIDMSNPSWAANING-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-[[2-(2,4,6-trimethylphenyl)phenyl]methyl]ethanamine
CID 54910365
N-[[2-(4-chlorophenyl)phenyl]methyl]ethanamine
CID 54911635
N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 63424375
N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 62796087
N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine
CID 62918232
N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
CID 116545389
2-(ethylaminomethyl)phenol
CID 12995218
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine
CID 79691265

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine (CID 79691626) is N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine is CCNCc1ccccc1-c1cc(C)cc(F)c1.
What is the InChIKey of N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine?
The InChIKey is IDMSNPSWAANING-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-18-11-13-6-4-5-7-16(13)14-8-12(2)9-15(17)10-14/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine?
N-[[2-(3-fluoro-5-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-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 79691626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).