2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline

C14H13F2NO — CID 82539246

IUPAC2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C14H13F2NO/c1-18-12-6-7-14(13(16)8-12)17-9-10-2-4-11(15)5-3-10/h2-8,17H,9H2,1H3
InChIKeyWOBDIGYSKIVTBD-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.59
Rot. Bonds4

About 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline

2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline (PubChem CID 82539246) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
PubChem CID82539246
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C14H13F2NO/c1-18-12-6-7-14(13(16)8-12)17-9-10-2-4-11(15)5-3-10/h2-8,17H,9H2,1H3
InChIKeyWOBDIGYSKIVTBD-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 82538755
2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 81304297
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
CID 166633819
2-fluoro-1-N-[(4-fluorophenyl)methyl]-5-methoxybenzene-1,4-diamine
CID 107258646
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
CID 29054094
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860311
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 62122449
methyl 2-(2-fluoro-4-methoxyanilino)acetate
CID 82539689

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline?
The IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline (CID 82539246) is 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline.
What is the SMILES notation for 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline?
The canonical SMILES for 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline is COc1ccc(NCc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline?
The InChIKey is WOBDIGYSKIVTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-18-12-6-7-14(13(16)8-12)17-9-10-2-4-11(15)5-3-10/h2-8,17H,9H2,1H3.
What are the key properties of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline?
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline has a molecular weight of 249.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline is sourced from PubChem (CID 82539246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).