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

C16H18FN — CID 55244992

IUPAC2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCCc1ccccc1NCc1ccc(C)c(F)c1
InChIInChI=1S/C16H18FN/c1-3-14-6-4-5-7-16(14)18-11-13-9-8-12(2)15(17)10-13/h4-10,18H,3,11H2,1-2H3
InChIKeyAQTNJXQGVQSBHK-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.31
Rot. Bonds4

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

2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline (PubChem CID 55244992) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
PubChem CID55244992
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCCc1ccccc1NCc1ccc(C)c(F)c1
InChIInChI=1S/C16H18FN/c1-3-14-6-4-5-7-16(14)18-11-13-9-8-12(2)15(17)10-13/h4-10,18H,3,11H2,1-2H3
InChIKeyAQTNJXQGVQSBHK-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
CID 63645034
2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052031
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
CID 63646546
1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 55226677
N-[(3,4-difluorophenyl)methyl]-2,6-diethylaniline
CID 82918896
N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
CID 62121796
2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 43692182
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
2,3,5-trifluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645876
N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
CID 115525983
N-[(3-fluoro-4-methylphenyl)methyl]-2-prop-2-enylsulfanylaniline
CID 63646242

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The IUPAC name of 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline (CID 55244992) is 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The canonical SMILES for 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline is CCc1ccccc1NCc1ccc(C)c(F)c1.
What is the InChIKey of 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The InChIKey is AQTNJXQGVQSBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-14-6-4-5-7-16(14)18-11-13-9-8-12(2)15(17)10-13/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline has a molecular weight of 243.32 g/mol, XLogP of 4.31, 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]aniline is sourced from PubChem (CID 55244992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).