N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine

C17H20FN — CID 54911693

IUPACN-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine
SMILESCCNC(C)c1cccc(-c2cc(C)ccc2F)c1
InChIInChI=1S/C17H20FN/c1-4-19-13(3)14-6-5-7-15(11-14)16-10-12(2)8-9-17(16)18/h5-11,13,19H,4H2,1-3H3
InChIKeyCFZILCAMLPSGQZ-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.47
Rot. Bonds4

About N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine

N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine (PubChem CID 54911693) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine
PubChem CID54911693
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine
SMILESCCNC(C)c1cccc(-c2cc(C)ccc2F)c1
InChIInChI=1S/C17H20FN/c1-4-19-13(3)14-6-5-7-15(11-14)16-10-12(2)8-9-17(16)18/h5-11,13,19H,4H2,1-3H3
InChIKeyCFZILCAMLPSGQZ-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-[3-(2-fluoro-5-methylphenyl)phenyl]propan-1-amine
CID 63423816
1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 115504411
1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine
CID 61033591
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine
CID 113324686
N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63424482
1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine
CID 62801214
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine
CID 79735816
N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine
CID 65099364
1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
CID 79167388
N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine
CID 63941109
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine (CID 54911693) is N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine is CCNC(C)c1cccc(-c2cc(C)ccc2F)c1.
What is the InChIKey of N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine?
The InChIKey is CFZILCAMLPSGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-4-19-13(3)14-6-5-7-15(11-14)16-10-12(2)8-9-17(16)18/h5-11,13,19H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine?
N-ethyl-1-[3-(2-fluoro-5-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-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine is sourced from PubChem (CID 54911693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).