5-[(4-fluorophenoxy)methyl]-2-methylaniline

C14H14FNO — CID 117221912

IUPAC5-[(4-fluorophenoxy)methyl]-2-methylaniline
SMILESCc1ccc(COc2ccc(F)cc2)cc1N
InChIInChI=1S/C14H14FNO/c1-10-2-3-11(8-14(10)16)9-17-13-6-4-12(15)5-7-13/h2-8H,9,16H2,1H3
InChIKeyGJEBQQWIKMJFGG-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.30
Rot. Bonds3

About 5-[(4-fluorophenoxy)methyl]-2-methylaniline

5-[(4-fluorophenoxy)methyl]-2-methylaniline (PubChem CID 117221912) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-2-methylaniline
PubChem CID117221912
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name5-[(4-fluorophenoxy)methyl]-2-methylaniline
SMILESCc1ccc(COc2ccc(F)cc2)cc1N
InChIInChI=1S/C14H14FNO/c1-10-2-3-11(8-14(10)16)9-17-13-6-4-12(15)5-7-13/h2-8H,9,16H2,1H3
InChIKeyGJEBQQWIKMJFGG-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117221915
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440
4-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117220443
2-bromo-4-[(4-fluorophenoxy)methyl]aniline
CID 117220466
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
CID 114252463
4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid
CID 117220532
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline
CID 62018326
(4-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665526
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline
CID 39371068
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-2-methylaniline?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-2-methylaniline (CID 117221912) is 5-[(4-fluorophenoxy)methyl]-2-methylaniline.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-2-methylaniline?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-2-methylaniline is Cc1ccc(COc2ccc(F)cc2)cc1N.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-2-methylaniline?
The InChIKey is GJEBQQWIKMJFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-10-2-3-11(8-14(10)16)9-17-13-6-4-12(15)5-7-13/h2-8H,9,16H2,1H3.
What are the key properties of 5-[(4-fluorophenoxy)methyl]-2-methylaniline?
5-[(4-fluorophenoxy)methyl]-2-methylaniline has a molecular weight of 231.27 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-2-methylaniline is sourced from PubChem (CID 117221912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).