4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline

C16H15Cl2F2N — CID 63565693

IUPAC4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline
SMILESCC(c1ccc(Cl)cc1)N(C)c1c(F)cc(CCl)cc1F
InChIInChI=1S/C16H15Cl2F2N/c1-10(12-3-5-13(18)6-4-12)21(2)16-14(19)7-11(9-17)8-15(16)20/h3-8,10H,9H2,1-2H3
InChIKeyYNKHYWKOKNIHOU-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.55
Rot. Bonds4

About 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline

4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline (PubChem CID 63565693) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline
PubChem CID63565693
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC Name4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline
SMILESCC(c1ccc(Cl)cc1)N(C)c1c(F)cc(CCl)cc1F
InChIInChI=1S/C16H15Cl2F2N/c1-10(12-3-5-13(18)6-4-12)21(2)16-14(19)7-11(9-17)8-15(16)20/h3-8,10H,9H2,1-2H3
InChIKeyYNKHYWKOKNIHOU-UHFFFAOYSA-N
XLogP5.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-[1-(3-chlorophenyl)ethyl-methylamino]-3,5-difluorophenyl]methanol
CID 63075837
4-(chloromethyl)-2,6-difluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 63539620
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine
CID 105383600
5-chloro-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 114846633
[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62978853
5-bromo-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 63568192
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
CID 115366851
5-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957668
3-N-[1-(4-chlorophenyl)ethyl]-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 55140660
[3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol
CID 63077921
2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-4-fluoro-N-methylaniline
CID 62978142
4-(2-aminoethyl)-2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 81159454

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline?
The IUPAC name of 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline (CID 63565693) is 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline.
What is the SMILES notation for 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline?
The canonical SMILES for 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline is CC(c1ccc(Cl)cc1)N(C)c1c(F)cc(CCl)cc1F.
What is the InChIKey of 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline?
The InChIKey is YNKHYWKOKNIHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-10(12-3-5-13(18)6-4-12)21(2)16-14(19)7-11(9-17)8-15(16)20/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline?
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline has a molecular weight of 330.21 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline is sourced from PubChem (CID 63565693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).