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

C14H14FNO — CID 18794484

IUPAC5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(Cc2ccc(F)cc2N)cc1
InChIInChI=1S/C14H14FNO/c1-17-13-6-2-10(3-7-13)8-11-4-5-12(15)9-14(11)16/h2-7,9H,8,16H2,1H3
InChIKeyWYXDDEWTPYTJNK-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.01
Rot. Bonds3

About 5-fluoro-2-[(4-methoxyphenyl)methyl]aniline

5-fluoro-2-[(4-methoxyphenyl)methyl]aniline (PubChem CID 18794484) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
PubChem CID18794484
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(Cc2ccc(F)cc2N)cc1
InChIInChI=1S/C14H14FNO/c1-17-13-6-2-10(3-7-13)8-11-4-5-12(15)9-14(11)16/h2-7,9H,8,16H2,1H3
InChIKeyWYXDDEWTPYTJNK-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'}

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Related Compounds

4-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 105489347
2-benzyl-5-methoxyaniline;ethane
CID 142463807
5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43304406
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline
CID 65431768
4-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 79148342
5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline
CID 64768625
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
5-fluoro-2-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81184508
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
CID 64769606

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 5-fluoro-2-[(4-methoxyphenyl)methyl]aniline (CID 18794484) is 5-fluoro-2-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-[(4-methoxyphenyl)methyl]aniline is COc1ccc(Cc2ccc(F)cc2N)cc1.
What is the InChIKey of 5-fluoro-2-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is WYXDDEWTPYTJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-17-13-6-2-10(3-7-13)8-11-4-5-12(15)9-14(11)16/h2-7,9H,8,16H2,1H3.
What are the key properties of 5-fluoro-2-[(4-methoxyphenyl)methyl]aniline?
5-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 5-fluoro-2-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 18794484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).