1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine

C17H20FNO2 — CID 43194863

IUPAC1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C17H20FNO2/c1-12(19-11-13-4-6-14(18)7-5-13)16-9-8-15(20-2)10-17(16)21-3/h4-10,12,19H,11H2,1-3H3
InChIKeyIKNQUANJZADZBT-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.69
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine

1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 43194863) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID43194863
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C17H20FNO2/c1-12(19-11-13-4-6-14(18)7-5-13)16-9-8-15(20-2)10-17(16)21-3/h4-10,12,19H,11H2,1-3H3
InChIKeyIKNQUANJZADZBT-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66399471
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 62328738
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene
CID 132933151
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 119165246
[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
CID 107230187
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913154
1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 62130800

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine (CID 43194863) is 1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine is COc1ccc(C(C)NCc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is IKNQUANJZADZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(19-11-13-4-6-14(18)7-5-13)16-9-8-15(20-2)10-17(16)21-3/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine?
1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43194863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).