2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline

C15H15F2NO — CID 61075554

IUPAC2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1CNc1cccc(F)c1F
InChIInChI=1S/C15H15F2NO/c1-10-6-7-14(19-2)11(8-10)9-18-13-5-3-4-12(16)15(13)17/h3-8,18H,9H2,1-2H3
InChIKeyXCZYPIMQBVSIST-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.89
Rot. Bonds4

About 2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline

2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline (PubChem CID 61075554) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
PubChem CID61075554
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1CNc1cccc(F)c1F
InChIInChI=1S/C15H15F2NO/c1-10-6-7-14(19-2)11(8-10)9-18-13-5-3-4-12(16)15(13)17/h3-8,18H,9H2,1-2H3
InChIKeyXCZYPIMQBVSIST-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-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54957845
2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 107597883
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 103478108
2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408609
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541
2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 61075545
5-fluoro-2-[(2-methoxy-5-methylphenyl)methylamino]benzonitrile
CID 79034337
2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline
CID 104726123
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The IUPAC name of 2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline (CID 61075554) is 2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline.
What is the SMILES notation for 2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The canonical SMILES for 2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline is COc1ccc(C)cc1CNc1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The InChIKey is XCZYPIMQBVSIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-6-7-14(19-2)11(8-10)9-18-13-5-3-4-12(16)15(13)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline 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 2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline is sourced from PubChem (CID 61075554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).