1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine

C18H22FNO — CID 106883546

IUPAC1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2c(C)cc(C)cc2F)cc1
InChIInChI=1S/C18H22FNO/c1-5-21-15-8-6-14(7-9-15)18(20-4)17-13(3)10-12(2)11-16(17)19/h6-11,18,20H,5H2,1-4H3
InChIKeyGCZQISDVNVIFIC-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.15
Rot. Bonds5

About 1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine

1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine (PubChem CID 106883546) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
PubChem CID106883546
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2c(C)cc(C)cc2F)cc1
InChIInChI=1S/C18H22FNO/c1-5-21-15-8-6-14(7-9-15)18(20-4)17-13(3)10-12(2)11-16(17)19/h6-11,18,20H,5H2,1-4H3
InChIKeyGCZQISDVNVIFIC-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

1-(3,4-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883897
1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883501
1-(4-ethoxyphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990532
1-(4-bromo-3-methylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883524
1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481879
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484259
1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802169
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255
[(2-ethoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884405
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine (CID 106883546) is 1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine is CCOc1ccc(C(NC)c2c(C)cc(C)cc2F)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The InChIKey is GCZQISDVNVIFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-5-21-15-8-6-14(7-9-15)18(20-4)17-13(3)10-12(2)11-16(17)19/h6-11,18,20H,5H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine 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 1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106883546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).