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

C17H20FNO — CID 115793050

IUPACN-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1F)c1ccccc1OC
InChIInChI=1S/C17H20FNO/c1-4-19-17(13-10-9-12(2)11-15(13)18)14-7-5-6-8-16(14)20-3/h5-11,17,19H,4H2,1-3H3
InChIKeyZGXNEIMDTTXOOM-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.84
Rot. Bonds5

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

N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine (PubChem CID 115793050) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
PubChem CID115793050
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1F)c1ccccc1OC
InChIInChI=1S/C17H20FNO/c1-4-19-17(13-10-9-12(2)11-15(13)18)14-7-5-6-8-16(14)20-3/h5-11,17,19H,4H2,1-3H3
InChIKeyZGXNEIMDTTXOOM-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

N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 63081777
N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115828081
N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 62790493
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 62945872
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
[(2-ethoxyphenyl)-(2-fluoro-4-methylphenyl)methyl]hydrazine
CID 105304374
N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106878124
N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 43487855
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-[(4-fluoro-3-methylphenyl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792226

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine (CID 115793050) is N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1F)c1ccccc1OC.
What is the InChIKey of N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is ZGXNEIMDTTXOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-19-17(13-10-9-12(2)11-15(13)18)14-7-5-6-8-16(14)20-3/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine?
N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine 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 N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 115793050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).