1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

C17H20FNO — CID 105018455

IUPAC1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCCc1cccc(C(NC)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-4-12-6-5-7-13(10-12)17(19-2)14-8-9-16(20-3)15(18)11-14/h5-11,17,19H,4H2,1-3H3
InChIKeyHKYMFHJLDIGHQU-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.71
Rot. Bonds5

About 1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 105018455) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID105018455
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCCc1cccc(C(NC)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-4-12-6-5-7-13(10-12)17(19-2)14-8-9-16(20-3)15(18)11-14/h5-11,17,19H,4H2,1-3H3
InChIKeyHKYMFHJLDIGHQU-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

1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050407
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(3,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018579
1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487683
1-[4-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018726
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 62919545
1-[3-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018727
1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105144492
1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018490
1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 65434197
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487646
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105144593

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 105018455) is 1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is CCc1cccc(C(NC)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is HKYMFHJLDIGHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-12-6-5-7-13(10-12)17(19-2)14-8-9-16(20-3)15(18)11-14/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(3-ethylphenyl)-1-(3-fluoro-4-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-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105018455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).