1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine

C17H20FNO — CID 82540228

IUPAC1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)c(-c2cc(C)ccc2OC)c1
InChIInChI=1S/C17H20FNO/c1-11-5-8-17(20-4)15(9-11)14-10-13(12(2)19-3)6-7-16(14)18/h5-10,12,19H,1-4H3
InChIKeyGKDMXNORTYJIBI-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.09
Rot. Bonds4

About 1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine

1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine (PubChem CID 82540228) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine
PubChem CID82540228
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)c(-c2cc(C)ccc2OC)c1
InChIInChI=1S/C17H20FNO/c1-11-5-8-17(20-4)15(9-11)14-10-13(12(2)19-3)6-7-16(14)18/h5-10,12,19H,1-4H3
InChIKeyGKDMXNORTYJIBI-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine
CID 82540557
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine
CID 82540185
1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541809
1-[2-(2-fluoro-5-methylphenyl)phenyl]-N-methylethanamine
CID 54911598
1,2-difluoro-3-(2-methoxy-5-methylphenyl)-5-methylbenzene
CID 143974540
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113
(1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine
CID 130783775
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline
CID 83058583
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoro-5-methylaniline
CID 43772760
1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 43285499
4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol
CID 82540521

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine (CID 82540228) is 1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine is CNC(C)c1ccc(F)c(-c2cc(C)ccc2OC)c1.
What is the InChIKey of 1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine?
The InChIKey is GKDMXNORTYJIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-5-8-17(20-4)15(9-11)14-10-13(12(2)19-3)6-7-16(14)18/h5-10,12,19H,1-4H3.
What are the key properties of 1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine?
1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82540228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).