4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline

C20H16ClF2NO — CID 11361445

IUPAC4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline
SMILESCOc1ccc(Cl)cc1-c1ccc(NCc2c(F)cccc2F)cc1
InChIInChI=1S/C20H16ClF2NO/c1-25-20-10-7-14(21)11-16(20)13-5-8-15(9-6-13)24-12-17-18(22)3-2-4-19(17)23/h2-11,24H,12H2,1H3
InChIKeyJXUOFCYAAMFCAK-UHFFFAOYSA-N
MW359.80 g/mol
LogP5.91
Rot. Bonds5

About 4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline

4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline (PubChem CID 11361445) has the molecular formula C20H16ClF2NO and a molecular weight of 359.80 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline
PubChem CID11361445
Molecular FormulaC20H16ClF2NO
Molecular Weight359.80 g/mol
Exact Mass359.09
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline
SMILESCOc1ccc(Cl)cc1-c1ccc(NCc2c(F)cccc2F)cc1
InChIInChI=1S/C20H16ClF2NO/c1-25-20-10-7-14(21)11-16(20)13-5-8-15(9-6-13)24-12-17-18(22)3-2-4-19(17)23/h2-11,24H,12H2,1H3
InChIKeyJXUOFCYAAMFCAK-UHFFFAOYSA-N
XLogP5.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.80
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline (CID 11361445) is 4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline is COc1ccc(Cl)cc1-c1ccc(NCc2c(F)cccc2F)cc1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline?
The InChIKey is JXUOFCYAAMFCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2NO/c1-25-20-10-7-14(21)11-16(20)13-5-8-15(9-6-13)24-12-17-18(22)3-2-4-19(17)23/h2-11,24H,12H2,1H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline?
4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline has a molecular weight of 359.80 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-[(2,6-difluorophenyl)methyl]aniline is sourced from PubChem (CID 11361445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).