N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine

C16H18FNO — CID 62130842

IUPACN-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNO/c1-3-18-11-13-4-7-16(10-12(13)2)19-15-8-5-14(17)6-9-15/h4-10,18H,3,11H2,1-2H3
InChIKeyLPKHQVGJPSVVRP-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.04
Rot. Bonds5

About N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine

N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine (PubChem CID 62130842) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
PubChem CID62130842
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNO/c1-3-18-11-13-4-7-16(10-12(13)2)19-15-8-5-14(17)6-9-15/h4-10,18H,3,11H2,1-2H3
InChIKeyLPKHQVGJPSVVRP-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-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221726
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 55221832
N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 63551836
[3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol
CID 62129324
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 167530793
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]ethanamine
CID 63552221
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide
CID 139467157
N-[[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 83141064
1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine
CID 63801756

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine (CID 62130842) is N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine is CCNCc1ccc(Oc2ccc(F)cc2)cc1C.
What is the InChIKey of N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine?
The InChIKey is LPKHQVGJPSVVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-18-11-13-4-7-16(10-12(13)2)19-15-8-5-14(17)6-9-15/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine?
N-[[4-(4-fluorophenoxy)-2-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-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 62130842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).