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

C16H18FNO — CID 112685466

IUPAC4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline
SMILESCCOc1ccc(NCc2ccccc2C)cc1F
InChIInChI=1S/C16H18FNO/c1-3-19-16-9-8-14(10-15(16)17)18-11-13-7-5-4-6-12(13)2/h4-10,18H,3,11H2,1-2H3
InChIKeyLNLNJVOYQKVUBG-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.14
Rot. Bonds5

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

4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline (PubChem CID 112685466) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline
PubChem CID112685466
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline
SMILESCCOc1ccc(NCc2ccccc2C)cc1F
InChIInChI=1S/C16H18FNO/c1-3-19-16-9-8-14(10-15(16)17)18-11-13-7-5-4-6-12(13)2/h4-10,18H,3,11H2,1-2H3
InChIKeyLNLNJVOYQKVUBG-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-ethoxy-3-fluoro-N-[(2-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

4-ethoxy-3-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 115743256
N-[(3-chloro-2-fluorophenyl)methyl]-4-ethoxy-3-fluoroaniline
CID 114487683
N-[(2,4-difluorophenyl)methyl]-4-ethoxy-3-fluoroaniline
CID 115587219
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
4-ethoxy-3-fluoro-N-[(3-methylphenyl)methyl]aniline
CID 115587227
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
4-ethoxy-3-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 112685476
4-ethoxy-3-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 115587236
N-[[2-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-chloro-4-fluoroaniline
CID 66541537
N-(2-chloroethyl)-4-ethoxy-3-fluoroaniline
CID 115214595
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline (CID 112685466) is 4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline is CCOc1ccc(NCc2ccccc2C)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is LNLNJVOYQKVUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-19-16-9-8-14(10-15(16)17)18-11-13-7-5-4-6-12(13)2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline?
4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 259.32 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 112685466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).