4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline

C15H14ClF2NO — CID 63567819

IUPAC4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline
SMILESCOc1ccc(N(C)c2c(F)cc(CCl)cc2F)cc1
InChIInChI=1S/C15H14ClF2NO/c1-19(11-3-5-12(20-2)6-4-11)15-13(17)7-10(9-16)8-14(15)18/h3-8H,9H2,1-2H3
InChIKeyXQXDNQDEBQYFMW-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.48
Rot. Bonds4

About 4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline

4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline (PubChem CID 63567819) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline
PubChem CID63567819
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline
SMILESCOc1ccc(N(C)c2c(F)cc(CCl)cc2F)cc1
InChIInChI=1S/C15H14ClF2NO/c1-19(11-3-5-12(20-2)6-4-11)15-13(17)7-10(9-16)8-14(15)18/h3-8H,9H2,1-2H3
InChIKeyXQXDNQDEBQYFMW-UHFFFAOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline
CID 55222249
4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63787025
5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene
CID 63076728
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
4-[4-(bromomethyl)-2,6-difluoro-N-methylanilino]benzonitrile
CID 107083026
N-[4-(chloromethyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63540066
4-(chloromethyl)-2,6-difluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 63539620
2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene
CID 118455233
4-(chloromethyl)-2,6-difluoro-N,N-dipropylaniline
CID 63539614
4-(chloromethyl)-2,6-difluoro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63967286
4-(aminomethyl)-3-fluoro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 105389449

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline?
The IUPAC name of 4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline (CID 63567819) is 4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline is COc1ccc(N(C)c2c(F)cc(CCl)cc2F)cc1.
What is the InChIKey of 4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline?
The InChIKey is XQXDNQDEBQYFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-19(11-3-5-12(20-2)6-4-11)15-13(17)7-10(9-16)8-14(15)18/h3-8H,9H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline?
4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline has a molecular weight of 297.73 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 63567819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).