2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline

C17H20FN — CID 63646546

IUPAC2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
SMILESCCc1cccc(C)c1NCc1ccc(C)c(F)c1
InChIInChI=1S/C17H20FN/c1-4-15-7-5-6-13(3)17(15)19-11-14-9-8-12(2)16(18)10-14/h5-10,19H,4,11H2,1-3H3
InChIKeyAGGWZIPPOAVGLU-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.62
Rot. Bonds4

About 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline

2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline (PubChem CID 63646546) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline.

Molecular Properties

Compound Name2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
PubChem CID63646546
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
SMILESCCc1cccc(C)c1NCc1ccc(C)c(F)c1
InChIInChI=1S/C17H20FN/c1-4-15-7-5-6-13(3)17(15)19-11-14-9-8-12(2)16(18)10-14/h5-10,19H,4,11H2,1-3H3
InChIKeyAGGWZIPPOAVGLU-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-2,6-diethylaniline
CID 82918896
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55244992
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline
CID 63490881
2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 65468543
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448170
N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
CID 63645034
2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409186
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 83076631
2,6-diethyl-N-[(4-methylphenyl)methyl]aniline
CID 63492108

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline?
The IUPAC name of 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline (CID 63646546) is 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline.
What is the SMILES notation for 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline?
The canonical SMILES for 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline is CCc1cccc(C)c1NCc1ccc(C)c(F)c1.
What is the InChIKey of 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline?
The InChIKey is AGGWZIPPOAVGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-4-15-7-5-6-13(3)17(15)19-11-14-9-8-12(2)16(18)10-14/h5-10,19H,4,11H2,1-3H3.
What are the key properties of 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline?
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline has a molecular weight of 257.35 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline is sourced from PubChem (CID 63646546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).