4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine

C16H13ClN2O — CID 11781084

IUPAC4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine
SMILESNc1cc(Cl)c(Oc2cccc3ccccc23)cc1N
InChIInChI=1S/C16H13ClN2O/c17-12-8-13(18)14(19)9-16(12)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-9H,18-19H2
InChIKeyYGHDDCKSFUIOEO-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.45
Rot. Bonds2

About 4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine

4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine (PubChem CID 11781084) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine
PubChem CID11781084
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine
SMILESNc1cc(Cl)c(Oc2cccc3ccccc23)cc1N
InChIInChI=1S/C16H13ClN2O/c17-12-8-13(18)14(19)9-16(12)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-9H,18-19H2
InChIKeyYGHDDCKSFUIOEO-UHFFFAOYSA-N
XLogP4.45
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine?
The IUPAC name of 4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine (CID 11781084) is 4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine?
The canonical SMILES for 4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine is Nc1cc(Cl)c(Oc2cccc3ccccc23)cc1N.
What is the InChIKey of 4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine?
The InChIKey is YGHDDCKSFUIOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-12-8-13(18)14(19)9-16(12)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-9H,18-19H2.
What are the key properties of 4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine?
4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine has a molecular weight of 284.75 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-naphthalen-1-yloxybenzene-1,2-diamine is sourced from PubChem (CID 11781084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).