2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline

C15H16FNO — CID 155580430

IUPAC2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline
SMILESCc1ccc(COCc2cccc(F)c2)c(N)c1
InChIInChI=1S/C15H16FNO/c1-11-5-6-13(15(17)7-11)10-18-9-12-3-2-4-14(16)8-12/h2-8H,9-10,17H2,1H3
InChIKeyWVSGHIHTQSWKIE-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.43
Rot. Bonds4

About 2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline

2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline (PubChem CID 155580430) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline
PubChem CID155580430
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline
SMILESCc1ccc(COCc2cccc(F)c2)c(N)c1
InChIInChI=1S/C15H16FNO/c1-11-5-6-13(15(17)7-11)10-18-9-12-3-2-4-14(16)8-12/h2-8H,9-10,17H2,1H3
InChIKeyWVSGHIHTQSWKIE-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline 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

2-[(3-fluorophenyl)methyl]-5-methylaniline
CID 105468725
2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline
CID 141256981
2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline
CID 155581546
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
N-(2-amino-4-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43259058
1-(2-ethoxyethoxymethyl)-3-fluorobenzene
CID 173202169
2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 28533453
1-[2-[(3-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43504983
2-(chloromethyl)-5-methylaniline
CID 91883475
1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 87305693
4-[(3-fluorophenyl)methoxy]-3-methylaniline
CID 22137933
3-[(3-bromophenyl)methoxymethyl]-2-fluoroaniline
CID 107348000

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline?
The IUPAC name of 2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline (CID 155580430) is 2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline.
What is the SMILES notation for 2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline?
The canonical SMILES for 2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline is Cc1ccc(COCc2cccc(F)c2)c(N)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline?
The InChIKey is WVSGHIHTQSWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-5-6-13(15(17)7-11)10-18-9-12-3-2-4-14(16)8-12/h2-8H,9-10,17H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline?
2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline has a molecular weight of 245.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline is sourced from PubChem (CID 155580430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).