2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline

C14H12Cl2FNO — CID 83077206

IUPAC2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2c(Cl)cc(F)cc2Cl)cc1
InChIInChI=1S/C14H12Cl2FNO/c1-19-11-4-2-9(3-5-11)8-18-14-12(15)6-10(17)7-13(14)16/h2-7,18H,8H2,1H3
InChIKeyDCQCNTQXRDBXKA-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.75
Rot. Bonds4

About 2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline

2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline (PubChem CID 83077206) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline
PubChem CID83077206
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2c(Cl)cc(F)cc2Cl)cc1
InChIInChI=1S/C14H12Cl2FNO/c1-19-11-4-2-9(3-5-11)8-18-14-12(15)6-10(17)7-13(14)16/h2-7,18H,8H2,1H3
InChIKeyDCQCNTQXRDBXKA-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 83078179
5-[(2,6-dichloro-4-fluoroanilino)methyl]-2-methoxybenzonitrile
CID 83078187
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 83076631
2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol
CID 83078315
2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 83073516
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 107610259
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 62809233
2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline
CID 83077123
2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104792036
2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26437643
2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 83081751

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline (CID 83077206) is 2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2c(Cl)cc(F)cc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is DCQCNTQXRDBXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-19-11-4-2-9(3-5-11)8-18-14-12(15)6-10(17)7-13(14)16/h2-7,18H,8H2,1H3.
What are the key properties of 2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline?
2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 300.16 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 83077206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).