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

C15H14Cl2FNO — CID 102876635

IUPAC2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1ccc(CNc2cc(Cl)c(C)cc2Cl)c(F)c1
InChIInChI=1S/C15H14Cl2FNO/c1-9-5-13(17)15(7-12(9)16)19-8-10-3-4-11(20-2)6-14(10)18/h3-7,19H,8H2,1-2H3
InChIKeyQEKDORSCYKCEIF-UHFFFAOYSA-N
MW314.19 g/mol
LogP5.06
Rot. Bonds4

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

2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline (PubChem CID 102876635) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline
PubChem CID102876635
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1ccc(CNc2cc(Cl)c(C)cc2Cl)c(F)c1
InChIInChI=1S/C15H14Cl2FNO/c1-9-5-13(17)15(7-12(9)16)19-8-10-3-4-11(20-2)6-14(10)18/h3-7,19H,8H2,1-2H3
InChIKeyQEKDORSCYKCEIF-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.19
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876267
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385
2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 103478952
2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
CID 104792082
2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline
CID 104726123
2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile
CID 107804560
2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline
CID 103412830
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxyaniline
CID 43233998
2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
CID 65315824
N-[(3-bromo-4-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726083
N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726869
2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
CID 55192756

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline (CID 102876635) is 2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline is COc1ccc(CNc2cc(Cl)c(C)cc2Cl)c(F)c1.
What is the InChIKey of 2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline?
The InChIKey is QEKDORSCYKCEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-9-5-13(17)15(7-12(9)16)19-8-10-3-4-11(20-2)6-14(10)18/h3-7,19H,8H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline?
2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline has a molecular weight of 314.19 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 102876635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).