4-[(3-chlorophenyl)methoxy]-2-methylaniline

C14H14ClNO — CID 18069645

IUPAC4-[(3-chlorophenyl)methoxy]-2-methylaniline
SMILESCc1cc(OCc2cccc(Cl)c2)ccc1N
InChIInChI=1S/C14H14ClNO/c1-10-7-13(5-6-14(10)16)17-9-11-3-2-4-12(15)8-11/h2-8H,9,16H2,1H3
InChIKeyACHNGEZHCYUMPU-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.81
Rot. Bonds3

About 4-[(3-chlorophenyl)methoxy]-2-methylaniline

4-[(3-chlorophenyl)methoxy]-2-methylaniline (PubChem CID 18069645) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-2-methylaniline.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-2-methylaniline
PubChem CID18069645
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name4-[(3-chlorophenyl)methoxy]-2-methylaniline
SMILESCc1cc(OCc2cccc(Cl)c2)ccc1N
InChIInChI=1S/C14H14ClNO/c1-10-7-13(5-6-14(10)16)17-9-11-3-2-4-12(15)8-11/h2-8H,9,16H2,1H3
InChIKeyACHNGEZHCYUMPU-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-2-methylaniline?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-2-methylaniline (CID 18069645) is 4-[(3-chlorophenyl)methoxy]-2-methylaniline.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-2-methylaniline?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-2-methylaniline is Cc1cc(OCc2cccc(Cl)c2)ccc1N.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-2-methylaniline?
The InChIKey is ACHNGEZHCYUMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-7-13(5-6-14(10)16)17-9-11-3-2-4-12(15)8-11/h2-8H,9,16H2,1H3.
What are the key properties of 4-[(3-chlorophenyl)methoxy]-2-methylaniline?
4-[(3-chlorophenyl)methoxy]-2-methylaniline has a molecular weight of 247.73 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-2-methylaniline is sourced from PubChem (CID 18069645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).