2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline

C15H14Cl2FNO — CID 104792082

IUPAC2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1cccc(CNc2cc(Cl)c(C)cc2Cl)c1F
InChIInChI=1S/C15H14Cl2FNO/c1-9-6-12(17)13(7-11(9)16)19-8-10-4-3-5-14(20-2)15(10)18/h3-7,19H,8H2,1-2H3
InChIKeyFVTASJFKLDLQQO-UHFFFAOYSA-N
MW314.19 g/mol
LogP5.06
Rot. Bonds4

About 2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline

2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline (PubChem CID 104792082) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
PubChem CID104792082
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1cccc(CNc2cc(Cl)c(C)cc2Cl)c1F
InChIInChI=1S/C15H14Cl2FNO/c1-9-6-12(17)13(7-11(9)16)19-8-10-4-3-5-14(20-2)15(10)18/h3-7,19H,8H2,1-2H3
InChIKeyFVTASJFKLDLQQO-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

Analyze 2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol
CID 104726382
4-chloro-2-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791665
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385
2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline
CID 104726123
2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104792036
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373
5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline
CID 107592012
2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline
CID 102876635
4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791660
N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726869
2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-4,5-dimethoxyaniline
CID 103944246
4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline
CID 114487194

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline (CID 104792082) is 2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline is COc1cccc(CNc2cc(Cl)c(C)cc2Cl)c1F.
What is the InChIKey of 2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline?
The InChIKey is FVTASJFKLDLQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-9-6-12(17)13(7-11(9)16)19-8-10-4-3-5-14(20-2)15(10)18/h3-7,19H,8H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline?
2,5-dichloro-N-[(2-fluoro-3-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-3-methoxyphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 104792082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).