1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine

C17H20FNO — CID 62790676

IUPAC1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2ccc(F)cc2C)c1
InChIInChI=1S/C17H20FNO/c1-4-20-15-7-5-6-13(11-15)17(19-3)16-9-8-14(18)10-12(16)2/h5-11,17,19H,4H2,1-3H3
InChIKeyFDLBINCIJUAMBK-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.84
Rot. Bonds5

About 1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine

1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine (PubChem CID 62790676) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
PubChem CID62790676
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2ccc(F)cc2C)c1
InChIInChI=1S/C17H20FNO/c1-4-20-15-7-5-6-13(11-15)17(19-3)16-9-8-14(18)10-12(16)2/h5-11,17,19H,4H2,1-3H3
InChIKeyFDLBINCIJUAMBK-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852460
1-(2,6-dimethyl-3-pyridinyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173207
1-(2-bromo-4-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022239
1-(3-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346766
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 106762224
N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
CID 115794851
[(2,4-dimethylphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 105191931
1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789931
1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022424
1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79989016
1-[3-(difluoromethoxy)phenyl]-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115851960
1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022211

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine (CID 62790676) is 1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine is CCOc1cccc(C(NC)c2ccc(F)cc2C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is FDLBINCIJUAMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-20-15-7-5-6-13(11-15)17(19-3)16-9-8-14(18)10-12(16)2/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 62790676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).