N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline

C15H15F2NO — CID 103852096

IUPACN-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2NO/c1-10-3-4-14(15(5-10)19-2)18-9-11-6-12(16)8-13(17)7-11/h3-8,18H,9H2,1-2H3
InChIKeyDHHXBIQXYXPOQL-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.89
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline

N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline (PubChem CID 103852096) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
PubChem CID103852096
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2NO/c1-10-3-4-14(15(5-10)19-2)18-9-11-6-12(16)8-13(17)7-11/h3-8,18H,9H2,1-2H3
InChIKeyDHHXBIQXYXPOQL-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-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline
CID 106528416
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204
4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
CID 60931109
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
CID 63451276
2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818943
4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 105402906
2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 61211307
2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 60931237
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline (CID 103852096) is N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline is COc1cc(C)ccc1NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline?
The InChIKey is DHHXBIQXYXPOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-3-4-14(15(5-10)19-2)18-9-11-6-12(16)8-13(17)7-11/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline?
N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-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 N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline is sourced from PubChem (CID 103852096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).