N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine

C18H22FNO — CID 106680359

IUPACN-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C18H22FNO/c1-5-20-18(14-6-8-15(19)9-7-14)17-13(3)10-12(2)11-16(17)21-4/h6-11,18,20H,5H2,1-4H3
InChIKeySKHIXPVQJIYZJF-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.15
Rot. Bonds5

About N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine

N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine (PubChem CID 106680359) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
PubChem CID106680359
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C18H22FNO/c1-5-20-18(14-6-8-15(19)9-7-14)17-13(3)10-12(2)11-16(17)21-4/h6-11,18,20H,5H2,1-4H3
InChIKeySKHIXPVQJIYZJF-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 65432269
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 106680796
N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 79212673
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106878124
N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79722384
[(3-fluoro-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 106682690
N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488838
N-[(4-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433284
N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62388086

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine (CID 106680359) is N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1)c1c(C)cc(C)cc1OC.
What is the InChIKey of N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine?
The InChIKey is SKHIXPVQJIYZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-5-20-18(14-6-8-15(19)9-7-14)17-13(3)10-12(2)11-16(17)21-4/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine?
N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106680359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).