3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline

C16H11Cl2NO — CID 749415

IUPAC3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline
SMILESNc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO/c17-13-6-8-15(12-4-2-1-3-11(12)13)20-16-7-5-10(19)9-14(16)18/h1-9H,19H2
InChIKeyMKXTZTZSPXTCFM-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.52
Rot. Bonds2

About 3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline

3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline (PubChem CID 749415) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline.

Molecular Properties

Compound Name3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline
PubChem CID749415
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline
SMILESNc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO/c17-13-6-8-15(12-4-2-1-3-11(12)13)20-16-7-5-10(19)9-14(16)18/h1-9H,19H2
InChIKeyMKXTZTZSPXTCFM-UHFFFAOYSA-N
XLogP5.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.52
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 3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline?
The IUPAC name of 3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline (CID 749415) is 3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline.
What is the SMILES notation for 3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline?
The canonical SMILES for 3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline is Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline?
The InChIKey is MKXTZTZSPXTCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-13-6-8-15(12-4-2-1-3-11(12)13)20-16-7-5-10(19)9-14(16)18/h1-9H,19H2.
What are the key properties of 3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline?
3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline has a molecular weight of 304.18 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline is sourced from PubChem (CID 749415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).