N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline

C15H15Cl2N — CID 114079472

IUPACN-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline
SMILESCc1cccc(NC(C)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-10-5-3-6-12(9-10)18-11(2)13-7-4-8-14(16)15(13)17/h3-9,11,18H,1-2H3
InChIKeyQKJMZPMIOPPGIC-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.47
Rot. Bonds3

About N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline

N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline (PubChem CID 114079472) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline
PubChem CID114079472
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC NameN-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline
SMILESCc1cccc(NC(C)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-10-5-3-6-12(9-10)18-11(2)13-7-4-8-14(16)15(13)17/h3-9,11,18H,1-2H3
InChIKeyQKJMZPMIOPPGIC-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43755615
N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide
CID 103930892
3-bromo-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43762854
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
CID 43088325
N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133307821
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
CID 115975807
N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
CID 43179240
3-N-[1-(2-chlorophenyl)ethyl]-5-methylbenzene-1,3-diamine
CID 112647468
2-[1-(3-chloroanilino)ethyl]-4-methylphenol
CID 43504663
3-(methoxymethyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43778856
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43189724

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline?
The IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline (CID 114079472) is N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline is Cc1cccc(NC(C)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline?
The InChIKey is QKJMZPMIOPPGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-10-5-3-6-12(9-10)18-11(2)13-7-4-8-14(16)15(13)17/h3-9,11,18H,1-2H3.
What are the key properties of N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline?
N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline has a molecular weight of 280.20 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline is sourced from PubChem (CID 114079472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).