2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline

C17H20FNO — CID 103720558

IUPAC2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline
SMILESCCOCc1ccccc1NCc1cc(C)ccc1F
InChIInChI=1S/C17H20FNO/c1-3-20-12-14-6-4-5-7-17(14)19-11-15-10-13(2)8-9-16(15)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyRZZDBURRCIMTNZ-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.28
Rot. Bonds6

About 2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline

2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline (PubChem CID 103720558) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline
PubChem CID103720558
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline
SMILESCCOCc1ccccc1NCc1cc(C)ccc1F
InChIInChI=1S/C17H20FNO/c1-3-20-12-14-6-4-5-7-17(14)19-11-15-10-13(2)8-9-16(15)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyRZZDBURRCIMTNZ-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline
CID 43750369
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053756
N-[2-(ethoxymethyl)phenyl]-2-fluoro-5-methylbenzamide
CID 62511294
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
CID 63422204
2-bromo-6-[[2-(ethoxymethyl)anilino]methyl]phenol
CID 61391843
N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline
CID 79968881

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline?
The IUPAC name of 2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline (CID 103720558) is 2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline?
The canonical SMILES for 2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline is CCOCc1ccccc1NCc1cc(C)ccc1F.
What is the InChIKey of 2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline?
The InChIKey is RZZDBURRCIMTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-20-12-14-6-4-5-7-17(14)19-11-15-10-13(2)8-9-16(15)18/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline?
2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline has a molecular weight of 273.35 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline is sourced from PubChem (CID 103720558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).