5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline

C14H12Cl3N — CID 29273451

IUPAC5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
SMILESCc1ccc(Cl)cc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl3N/c1-9-5-6-10(15)7-14(9)18-8-11-12(16)3-2-4-13(11)17/h2-7,18H,8H2,1H3
InChIKeyPCYVFVRNAVUUNZ-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.57
Rot. Bonds3

About 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline

5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline (PubChem CID 29273451) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
PubChem CID29273451
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
SMILESCc1ccc(Cl)cc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl3N/c1-9-5-6-10(15)7-14(9)18-8-11-12(16)3-2-4-13(11)17/h2-7,18H,8H2,1H3
InChIKeyPCYVFVRNAVUUNZ-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.62
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline
CID 83960754
N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 54809835
3-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 103291779
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline
CID 63453538
3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432293
5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118257
N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 29043434
4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932187
4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol
CID 106953996
5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline
CID 54798681

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline?
The IUPAC name of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline (CID 29273451) is 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline?
The canonical SMILES for 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline is Cc1ccc(Cl)cc1NCc1c(Cl)cccc1Cl.
What is the InChIKey of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline?
The InChIKey is PCYVFVRNAVUUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c1-9-5-6-10(15)7-14(9)18-8-11-12(16)3-2-4-13(11)17/h2-7,18H,8H2,1H3.
What are the key properties of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline?
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline has a molecular weight of 300.62 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 29273451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).