N-[(4-chlorophenyl)methyl]-4-methoxyaniline

C14H14ClNO — CID 961574

IUPACN-[(4-chlorophenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
InChIKeyGQRCXKTWRYIKBP-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.96
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-methoxyaniline

N-[(4-chlorophenyl)methyl]-4-methoxyaniline (PubChem CID 961574) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-methoxyaniline
PubChem CID961574
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC NameN-[(4-chlorophenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
InChIKeyGQRCXKTWRYIKBP-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[(4-chlorophenyl)methyl]-4-methoxyaniline 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 N-[(4-chlorophenyl)methyl]-4-methoxyaniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-methoxyaniline (CID 961574) is N-[(4-chlorophenyl)methyl]-4-methoxyaniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-methoxyaniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-methoxyaniline is COc1ccc(NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-methoxyaniline?
The InChIKey is GQRCXKTWRYIKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-methoxyaniline?
N-[(4-chlorophenyl)methyl]-4-methoxyaniline has a molecular weight of 247.73 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-methoxyaniline is sourced from PubChem (CID 961574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).