4-[(2,4-dichlorophenyl)methyl]aniline

C13H11Cl2N — CID 116926043

IUPAC4-[(2,4-dichlorophenyl)methyl]aniline
SMILESNc1ccc(Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H11Cl2N/c14-11-4-3-10(13(15)8-11)7-9-1-5-12(16)6-2-9/h1-6,8H,7,16H2
InChIKeyBPTZDZQPHHOIJC-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.17
Rot. Bonds2

About 4-[(2,4-dichlorophenyl)methyl]aniline

4-[(2,4-dichlorophenyl)methyl]aniline (PubChem CID 116926043) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methyl]aniline
PubChem CID116926043
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC Name4-[(2,4-dichlorophenyl)methyl]aniline
SMILESNc1ccc(Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H11Cl2N/c14-11-4-3-10(13(15)8-11)7-9-1-5-12(16)6-2-9/h1-6,8H,7,16H2
InChIKeyBPTZDZQPHHOIJC-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(2,4-dichlorophenyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,5-dichlorophenyl)methyl]aniline
CID 21272493
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60939480
ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate
CID 70623178
5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine
CID 101277573
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-2-methylphenyl]methyl]phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]aniline
CID 18976911
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-methylphenyl]methyl]-2-methylphenyl]methyl]phenyl]methyl]aniline
CID 22920657
3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline
CID 65124497
4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 9150223
5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 3779331

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methyl]aniline?
The IUPAC name of 4-[(2,4-dichlorophenyl)methyl]aniline (CID 116926043) is 4-[(2,4-dichlorophenyl)methyl]aniline.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methyl]aniline?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methyl]aniline is Nc1ccc(Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methyl]aniline?
The InChIKey is BPTZDZQPHHOIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c14-11-4-3-10(13(15)8-11)7-9-1-5-12(16)6-2-9/h1-6,8H,7,16H2.
What are the key properties of 4-[(2,4-dichlorophenyl)methyl]aniline?
4-[(2,4-dichlorophenyl)methyl]aniline has a molecular weight of 252.14 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methyl]aniline is sourced from PubChem (CID 116926043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).