N-[(2,4-dichlorophenyl)methyl]-2-methylaniline

C14H13Cl2N — CID 28557135

IUPACN-[(2,4-dichlorophenyl)methyl]-2-methylaniline
SMILESCc1ccccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(15)8-13(11)16/h2-8,17H,9H2,1H3
InChIKeyNFKHVGIYNQCXPK-UHFFFAOYSA-N
MW266.17 g/mol
LogP4.91
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-2-methylaniline

N-[(2,4-dichlorophenyl)methyl]-2-methylaniline (PubChem CID 28557135) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-methylaniline
PubChem CID28557135
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-methylaniline
SMILESCc1ccccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(15)8-13(11)16/h2-8,17H,9H2,1H3
InChIKeyNFKHVGIYNQCXPK-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118021
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline
CID 43229972
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
3-chloro-4-[(2-methylanilino)methyl]benzamide
CID 102663959
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126124035
3-chloro-4-[(5-chloro-2-methylanilino)methyl]benzonitrile
CID 102663740
N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29291752
N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721777
2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
CID 114251746
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methylaniline?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methylaniline (CID 28557135) is N-[(2,4-dichlorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-methylaniline?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-methylaniline is Cc1ccccc1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-methylaniline?
The InChIKey is NFKHVGIYNQCXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(15)8-13(11)16/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-methylaniline?
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline has a molecular weight of 266.17 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 28557135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).