4-[(4-fluoro-3-methylphenyl)methyl]aniline

C14H14FN — CID 39243567

IUPAC4-[(4-fluoro-3-methylphenyl)methyl]aniline
SMILESCc1cc(Cc2ccc(N)cc2)ccc1F
InChIInChI=1S/C14H14FN/c1-10-8-12(4-7-14(10)15)9-11-2-5-13(16)6-3-11/h2-8H,9,16H2,1H3
InChIKeyFTSQLYOVMHSHFP-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.31
Rot. Bonds2

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

4-[(4-fluoro-3-methylphenyl)methyl]aniline (PubChem CID 39243567) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)methyl]aniline
PubChem CID39243567
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name4-[(4-fluoro-3-methylphenyl)methyl]aniline
SMILESCc1cc(Cc2ccc(N)cc2)ccc1F
InChIInChI=1S/C14H14FN/c1-10-8-12(4-7-14(10)15)9-11-2-5-13(16)6-3-11/h2-8H,9,16H2,1H3
InChIKeyFTSQLYOVMHSHFP-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)methyl]aniline?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)methyl]aniline (CID 39243567) is 4-[(4-fluoro-3-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)methyl]aniline?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)methyl]aniline is Cc1cc(Cc2ccc(N)cc2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)methyl]aniline?
The InChIKey is FTSQLYOVMHSHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-10-8-12(4-7-14(10)15)9-11-2-5-13(16)6-3-11/h2-8H,9,16H2,1H3.
What are the key properties of 4-[(4-fluoro-3-methylphenyl)methyl]aniline?
4-[(4-fluoro-3-methylphenyl)methyl]aniline 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-[(4-fluoro-3-methylphenyl)methyl]aniline is sourced from PubChem (CID 39243567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).