2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline

C15H15F2NO — CID 43235538

IUPAC2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
SMILESCOc1ccc(CNc2cc(C)ccc2F)cc1F
InChIInChI=1S/C15H15F2NO/c1-10-3-5-12(16)14(7-10)18-9-11-4-6-15(19-2)13(17)8-11/h3-8,18H,9H2,1-2H3
InChIKeyDCKPGEOQRZEEPU-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.89
Rot. Bonds4

About 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline

2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline (PubChem CID 43235538) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
PubChem CID43235538
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
SMILESCOc1ccc(CNc2cc(C)ccc2F)cc1F
InChIInChI=1S/C15H15F2NO/c1-10-3-5-12(16)14(7-10)18-9-11-4-6-15(19-2)13(17)8-11/h3-8,18H,9H2,1-2H3
InChIKeyDCKPGEOQRZEEPU-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline
CID 43235477
2-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82761157
N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 65022563
2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43090343
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204
5-bromo-2,4-difluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 102853055
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
4-[(2-fluoro-5-methylanilino)methyl]benzene-1,2-diol
CID 28968371
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43772765

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline?
The IUPAC name of 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline (CID 43235538) is 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline?
The canonical SMILES for 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline is COc1ccc(CNc2cc(C)ccc2F)cc1F.
What is the InChIKey of 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline?
The InChIKey is DCKPGEOQRZEEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-3-5-12(16)14(7-10)18-9-11-4-6-15(19-2)13(17)8-11/h3-8,18H,9H2,1-2H3.
What are the key properties of 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline?
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline has a molecular weight of 263.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline is sourced from PubChem (CID 43235538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).