N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine

C16H18FNO — CID 105406759

IUPACN-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Oc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO/c1-3-18-11-13-5-4-12(2)16(10-13)19-15-8-6-14(17)7-9-15/h4-10,18H,3,11H2,1-2H3
InChIKeyCYIXPJSVLZLRHI-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.04
Rot. Bonds5

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

N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine (PubChem CID 105406759) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
PubChem CID105406759
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Oc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO/c1-3-18-11-13-5-4-12(2)16(10-13)19-15-8-6-14(17)7-9-15/h4-10,18H,3,11H2,1-2H3
InChIKeyCYIXPJSVLZLRHI-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 107169882
N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 105406594
N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406669
N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990193
N-[[4-(2-fluoro-3-methylphenoxy)phenyl]methyl]ethanamine
CID 107659654
N-[[4-(3-fluoro-4-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 107169923
N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine
CID 105406973
N-[[3-(4-bromophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105406672
N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine
CID 105407260
N-[[4-(2-methyl-5-nitrophenoxy)phenyl]methyl]ethanamine
CID 61031171
N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 63075795
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine (CID 105406759) is N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine is CCNCc1ccc(C)c(Oc2ccc(F)cc2)c1.
What is the InChIKey of N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine?
The InChIKey is CYIXPJSVLZLRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-18-11-13-5-4-12(2)16(10-13)19-15-8-6-14(17)7-9-15/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine?
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 105406759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).