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

C15H15F2NO — CID 104791781

IUPAC4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline
SMILESCOc1cccc(CNc2ccc(F)c(C)c2)c1F
InChIInChI=1S/C15H15F2NO/c1-10-8-12(6-7-13(10)16)18-9-11-4-3-5-14(19-2)15(11)17/h3-8,18H,9H2,1-2H3
InChIKeyBRTPXPFMDAAXDX-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.89
Rot. Bonds4

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

4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline (PubChem CID 104791781) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline
PubChem CID104791781
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline
SMILESCOc1cccc(CNc2ccc(F)c(C)c2)c1F
InChIInChI=1S/C15H15F2NO/c1-10-8-12(6-7-13(10)16)18-9-11-4-3-5-14(19-2)15(11)17/h3-8,18H,9H2,1-2H3
InChIKeyBRTPXPFMDAAXDX-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

3,4-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791484
N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
CID 62810743
4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791660
3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791512
4-(chloromethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104794881
N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylsulfanylaniline
CID 104791450
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
4-chloro-2-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791665
5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline
CID 107592012
4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline
CID 62810217
methyl 2-[(4-fluoro-3-methylanilino)methyl]benzoate
CID 62810538
2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
CID 104792082

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline?
The IUPAC name of 4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline (CID 104791781) is 4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline.
What is the SMILES notation for 4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline?
The canonical SMILES for 4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline is COc1cccc(CNc2ccc(F)c(C)c2)c1F.
What is the InChIKey of 4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline?
The InChIKey is BRTPXPFMDAAXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-8-12(6-7-13(10)16)18-9-11-4-3-5-14(19-2)15(11)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline?
4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-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 4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline is sourced from PubChem (CID 104791781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).