N-[(3,4-dichlorophenyl)methyl]aniline

C13H11Cl2N — CID 5214639

IUPACN-[(3,4-dichlorophenyl)methyl]aniline
SMILESClc1ccc(CNc2ccccc2)cc1Cl
InChIInChI=1S/C13H11Cl2N/c14-12-7-6-10(8-13(12)15)9-16-11-4-2-1-3-5-11/h1-8,16H,9H2
InChIKeyDNLJKKQHJDOTLP-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.61
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]aniline

N-[(3,4-dichlorophenyl)methyl]aniline (PubChem CID 5214639) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]aniline
PubChem CID5214639
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC NameN-[(3,4-dichlorophenyl)methyl]aniline
SMILESClc1ccc(CNc2ccccc2)cc1Cl
InChIInChI=1S/C13H11Cl2N/c14-12-7-6-10(8-13(12)15)9-16-11-4-2-1-3-5-11/h1-8,16H,9H2
InChIKeyDNLJKKQHJDOTLP-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]aniline?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]aniline (CID 5214639) is N-[(3,4-dichlorophenyl)methyl]aniline.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]aniline?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]aniline is Clc1ccc(CNc2ccccc2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]aniline?
The InChIKey is DNLJKKQHJDOTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c14-12-7-6-10(8-13(12)15)9-16-11-4-2-1-3-5-11/h1-8,16H,9H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]aniline?
N-[(3,4-dichlorophenyl)methyl]aniline has a molecular weight of 252.14 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]aniline is sourced from PubChem (CID 5214639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).