1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine

C17H20FNO — CID 82884552

IUPAC1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCOc1cc(C(C)NCc2ccccc2C)ccc1F
InChIInChI=1S/C17H20FNO/c1-12-6-4-5-7-15(12)11-19-13(2)14-8-9-16(18)17(10-14)20-3/h4-10,13,19H,11H2,1-3H3
InChIKeyCJKKXTJYFGFOHZ-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.99
Rot. Bonds5

About 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine

1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine (PubChem CID 82884552) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
PubChem CID82884552
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCOc1cc(C(C)NCc2ccccc2C)ccc1F
InChIInChI=1S/C17H20FNO/c1-12-6-4-5-7-15(12)11-19-13(2)14-8-9-16(18)17(10-14)20-3/h4-10,13,19H,11H2,1-3H3
InChIKeyCJKKXTJYFGFOHZ-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 83075054
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991384
N-[(4-chloro-2-methylphenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 104853881
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82878666
1-(4-fluoro-3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 83059000
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807
1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 43230865
[4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol
CID 103947395
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine
CID 83075210
(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 29276650
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine (CID 82884552) is 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine is COc1cc(C(C)NCc2ccccc2C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The InChIKey is CJKKXTJYFGFOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-6-4-5-7-15(12)11-19-13(2)14-8-9-16(18)17(10-14)20-3/h4-10,13,19H,11H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine?
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 82884552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).