4-fluoro-2-[(4-methoxyphenyl)methyl]aniline

C14H14FNO — CID 105489347

IUPAC4-fluoro-2-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(Cc2cc(F)ccc2N)cc1
InChIInChI=1S/C14H14FNO/c1-17-13-5-2-10(3-6-13)8-11-9-12(15)4-7-14(11)16/h2-7,9H,8,16H2,1H3
InChIKeyPNRJCEFKKRXUSP-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.01
Rot. Bonds3

About 4-fluoro-2-[(4-methoxyphenyl)methyl]aniline

4-fluoro-2-[(4-methoxyphenyl)methyl]aniline (PubChem CID 105489347) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-fluoro-2-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[(4-methoxyphenyl)methyl]aniline
PubChem CID105489347
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name4-fluoro-2-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(Cc2cc(F)ccc2N)cc1
InChIInChI=1S/C14H14FNO/c1-17-13-5-2-10(3-6-13)8-11-9-12(15)4-7-14(11)16/h2-7,9H,8,16H2,1H3
InChIKeyPNRJCEFKKRXUSP-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-[(4-methoxyphenyl)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

5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
1-methoxy-4-[4-(4-methoxyphenyl)buta-1,3-dienyl]benzene;4-methoxy-2-[(4-methoxyphenyl)methyl]aniline
CID 173452829
4-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 79148342
4-methoxy-2-(pyridin-4-ylmethyl)aniline
CID 105467827
4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline
CID 65431768
5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43304406
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
4-fluoro-2-[(4-propylphenoxy)methyl]aniline
CID 62548026
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
5-fluoro-2-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81184508

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-fluoro-2-[(4-methoxyphenyl)methyl]aniline (CID 105489347) is 4-fluoro-2-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-[(4-methoxyphenyl)methyl]aniline is COc1ccc(Cc2cc(F)ccc2N)cc1.
What is the InChIKey of 4-fluoro-2-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is PNRJCEFKKRXUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-17-13-5-2-10(3-6-13)8-11-9-12(15)4-7-14(11)16/h2-7,9H,8,16H2,1H3.
What are the key properties of 4-fluoro-2-[(4-methoxyphenyl)methyl]aniline?
4-fluoro-2-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 231.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 105489347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).