1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine

C17H20FNO — CID 65434197

IUPAC1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2c(F)cccc2OC)cc1
InChIInChI=1S/C17H20FNO/c1-4-12-8-10-13(11-9-12)17(19-2)16-14(18)6-5-7-15(16)20-3/h5-11,17,19H,4H2,1-3H3
InChIKeyVHCSRAGOKSUYAL-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.71
Rot. Bonds5

About 1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine

1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine (PubChem CID 65434197) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
PubChem CID65434197
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2c(F)cccc2OC)cc1
InChIInChI=1S/C17H20FNO/c1-4-12-8-10-13(11-9-12)17(19-2)16-14(18)6-5-7-15(16)20-3/h5-11,17,19H,4H2,1-3H3
InChIKeyVHCSRAGOKSUYAL-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-ethylphenyl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
CID 105252548
N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 65432269
1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 43481181
1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 65434782
1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105052091
1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105018455
N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 65433237
1-(2-bromo-6-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 114886958
1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 107513669
1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 65432845
N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79722384
1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484647

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine (CID 65434197) is 1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine is CCc1ccc(C(NC)c2c(F)cccc2OC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine?
The InChIKey is VHCSRAGOKSUYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-12-8-10-13(11-9-12)17(19-2)16-14(18)6-5-7-15(16)20-3/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine?
1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 65434197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).