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

C17H20FNO — CID 107169882

IUPACN-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Oc2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-4-19-11-14-7-5-13(3)17(9-14)20-15-8-6-12(2)16(18)10-15/h5-10,19H,4,11H2,1-3H3
InChIKeyNHEAOIKXBVLPCY-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.34
Rot. Bonds5

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

N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine (PubChem CID 107169882) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine
PubChem CID107169882
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Oc2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-4-19-11-14-7-5-13(3)17(9-14)20-15-8-6-12(2)16(18)10-15/h5-10,19H,4,11H2,1-3H3
InChIKeyNHEAOIKXBVLPCY-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(3-fluoro-4-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 107169923
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406669
N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 105406594
2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine
CID 107171085
N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine
CID 105406973
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
N-[[3-(4-bromophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105406672
N-[[3-(2-bromo-4-chlorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406870
N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990193
1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406718

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine (CID 107169882) is N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine is CCNCc1ccc(C)c(Oc2ccc(C)c(F)c2)c1.
What is the InChIKey of N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine?
The InChIKey is NHEAOIKXBVLPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-19-11-14-7-5-13(3)17(9-14)20-15-8-6-12(2)16(18)10-15/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine?
N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 107169882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).