2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline

C15H15Cl2N — CID 43758710

IUPAC2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
SMILESCc1cccc(C(C)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-10-4-3-5-12(8-10)11(2)18-15-7-6-13(16)9-14(15)17/h3-9,11,18H,1-2H3
InChIKeyDJWXYMMMCZODHJ-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.47
Rot. Bonds3

About 2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline

2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline (PubChem CID 43758710) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
PubChem CID43758710
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
SMILESCc1cccc(C(C)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-10-4-3-5-12(8-10)11(2)18-15-7-6-13(16)9-14(15)17/h3-9,11,18H,1-2H3
InChIKeyDJWXYMMMCZODHJ-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

2-bromo-4-chloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 81264080
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
4-chloro-N-[1-(3-methylphenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43760260
2-chloro-4,5-dimethoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 43784482
2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43097452
4-bromo-2,3-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 107788093
2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43105982
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
(1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360674
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline
CID 82761850

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline?
The IUPAC name of 2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline (CID 43758710) is 2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline is Cc1cccc(C(C)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline?
The InChIKey is DJWXYMMMCZODHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-10-4-3-5-12(8-10)11(2)18-15-7-6-13(16)9-14(15)17/h3-9,11,18H,1-2H3.
What are the key properties of 2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline?
2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline 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 2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43758710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).