N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine

C17H20FN — CID 54911658

IUPACN-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1-c1cc(F)ccc1C
InChIInChI=1S/C17H20FN/c1-4-19-13(3)15-7-5-6-8-16(15)17-11-14(18)10-9-12(17)2/h5-11,13,19H,4H2,1-3H3
InChIKeyLROXPHHMHZAQJS-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.47
Rot. Bonds4

About N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine

N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine (PubChem CID 54911658) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine
PubChem CID54911658
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1-c1cc(F)ccc1C
InChIInChI=1S/C17H20FN/c1-4-19-13(3)15-7-5-6-8-16(15)17-11-14(18)10-9-12(17)2/h5-11,13,19H,4H2,1-3H3
InChIKeyLROXPHHMHZAQJS-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine
CID 115503189
1-[2-(2,4-dimethylphenyl)phenyl]-N-ethylethanamine
CID 55110501
N-ethyl-1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanamine
CID 43287860
N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine
CID 114068507
N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine
CID 102834416
N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 55078796
1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
CID 107513182
N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63423907
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938
N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine
CID 115502854
1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine
CID 43286383
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
CID 63532134

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine (CID 54911658) is N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine is CCNC(C)c1ccccc1-c1cc(F)ccc1C.
What is the InChIKey of N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine?
The InChIKey is LROXPHHMHZAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-4-19-13(3)15-7-5-6-8-16(15)17-11-14(18)10-9-12(17)2/h5-11,13,19H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine?
N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine is sourced from PubChem (CID 54911658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).