4-[(2-fluorophenyl)methyl]-2-methylaniline

C14H14FN — CID 134448573

IUPAC4-[(2-fluorophenyl)methyl]-2-methylaniline
SMILESCc1cc(Cc2ccccc2F)ccc1N
InChIInChI=1S/C14H14FN/c1-10-8-11(6-7-14(10)16)9-12-4-2-3-5-13(12)15/h2-8H,9,16H2,1H3
InChIKeyXMGUJUJUWAJXTC-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.31
Rot. Bonds2

About 4-[(2-fluorophenyl)methyl]-2-methylaniline

4-[(2-fluorophenyl)methyl]-2-methylaniline (PubChem CID 134448573) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-2-methylaniline
PubChem CID134448573
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name4-[(2-fluorophenyl)methyl]-2-methylaniline
SMILESCc1cc(Cc2ccccc2F)ccc1N
InChIInChI=1S/C14H14FN/c1-10-8-11(6-7-14(10)16)9-12-4-2-3-5-13(12)15/h2-8H,9,16H2,1H3
InChIKeyXMGUJUJUWAJXTC-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(2-fluorophenyl)methyl]-2-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

4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412584
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
CID 155059275
4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline
CID 22061774
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene
CID 155367036
5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline
CID 154647758
1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 43221037
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412798
4-[[4-amino-3-[[3-amino-5-[(3-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]-2-methylaniline
CID 130251815
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
CID 68660073
4-(aminomethyl)-2-methylaniline
CID 18727732

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-2-methylaniline?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-2-methylaniline (CID 134448573) is 4-[(2-fluorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-2-methylaniline?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-2-methylaniline is Cc1cc(Cc2ccccc2F)ccc1N.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-2-methylaniline?
The InChIKey is XMGUJUJUWAJXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-10-8-11(6-7-14(10)16)9-12-4-2-3-5-13(12)15/h2-8H,9,16H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)methyl]-2-methylaniline?
4-[(2-fluorophenyl)methyl]-2-methylaniline has a molecular weight of 215.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 134448573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).