4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline

C15H17ClN2 — CID 162401670

IUPAC4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline
SMILESCN(C)Cc1cc(Cl)ccc1Nc1ccccc1
InChIInChI=1S/C15H17ClN2/c1-18(2)11-12-10-13(16)8-9-15(12)17-14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3
InChIKeyRHBQSNOVNHRHRD-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.15
Rot. Bonds4

About 4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline

4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline (PubChem CID 162401670) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline.

Molecular Properties

Compound Name4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline
PubChem CID162401670
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline
SMILESCN(C)Cc1cc(Cl)ccc1Nc1ccccc1
InChIInChI=1S/C15H17ClN2/c1-18(2)11-12-10-13(16)8-9-15(12)17-14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3
InChIKeyRHBQSNOVNHRHRD-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline?
The IUPAC name of 4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline (CID 162401670) is 4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline.
What is the SMILES notation for 4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline?
The canonical SMILES for 4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline is CN(C)Cc1cc(Cl)ccc1Nc1ccccc1.
What is the InChIKey of 4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline?
The InChIKey is RHBQSNOVNHRHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-18(2)11-12-10-13(16)8-9-15(12)17-14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3.
What are the key properties of 4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline?
4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline has a molecular weight of 260.77 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(dimethylamino)methyl]-N-phenylaniline is sourced from PubChem (CID 162401670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).