5-chloro-2-naphthalen-2-yloxyaniline

C16H12ClNO — CID 2337866

IUPAC5-chloro-2-naphthalen-2-yloxyaniline
SMILESNc1cc(Cl)ccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C16H12ClNO/c17-13-6-8-16(15(18)10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,18H2
InChIKeyOSONOOMSGZJDBA-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.87
Rot. Bonds2

About 5-chloro-2-naphthalen-2-yloxyaniline

5-chloro-2-naphthalen-2-yloxyaniline (PubChem CID 2337866) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-2-naphthalen-2-yloxyaniline.

Molecular Properties

Compound Name5-chloro-2-naphthalen-2-yloxyaniline
PubChem CID2337866
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name5-chloro-2-naphthalen-2-yloxyaniline
SMILESNc1cc(Cl)ccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C16H12ClNO/c17-13-6-8-16(15(18)10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,18H2
InChIKeyOSONOOMSGZJDBA-UHFFFAOYSA-N
XLogP4.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-2-(P-tolyloxy)-aniline
CID 855072
2-(2-Naphthyloxy)aniline
CID 2302295
5-Chloro-2-(3-methylphenoxy)aniline
CID 3368159
5-Chloro-2-(phenylmethoxy)benzenamine
CID 4779097
5-Chloro-2-(4-chloro-3-methylphenoxy)benzenamine
CID 4487552
2-(4-Aminophenoxy)naphthalene
CID 3580829
3-Chloro-4-[(4-chloro-1-naphthyl)oxy]aniline
CID 749415
2-(4-Chloro-2-nitrophenoxy)naphthalene
CID 2301675
5-Chloro-2-(4-methylphenoxy)aniline--hydrogen chloride (1/1)
CID 43810394
3-Chloro-4-(1-chloronaphthalen-2-yl)oxyaniline
CID 4416190
2-([1,1'-Biphenyl]-4-yloxy)-5-chloroaniline
CID 26189318
2-(1-Naphthyloxy)aniline
CID 2735389

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-naphthalen-2-yloxyaniline?
The IUPAC name of 5-chloro-2-naphthalen-2-yloxyaniline (CID 2337866) is 5-chloro-2-naphthalen-2-yloxyaniline.
What is the SMILES notation for 5-chloro-2-naphthalen-2-yloxyaniline?
The canonical SMILES for 5-chloro-2-naphthalen-2-yloxyaniline is Nc1cc(Cl)ccc1Oc1ccc2ccccc2c1.
What is the InChIKey of 5-chloro-2-naphthalen-2-yloxyaniline?
The InChIKey is OSONOOMSGZJDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-13-6-8-16(15(18)10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,18H2.
What are the key properties of 5-chloro-2-naphthalen-2-yloxyaniline?
5-chloro-2-naphthalen-2-yloxyaniline has a molecular weight of 269.73 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-naphthalen-2-yloxyaniline is sourced from PubChem (CID 2337866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).