2-chloro-4-naphthalen-2-yloxyaniline

C16H12ClNO — CID 175197159

IUPAC2-chloro-4-naphthalen-2-yloxyaniline
SMILESNc1ccc(Oc2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C16H12ClNO/c17-15-10-14(7-8-16(15)18)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,18H2
InChIKeyVZOSFJYDSPHNAY-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.87
Rot. Bonds2

About 2-chloro-4-naphthalen-2-yloxyaniline

2-chloro-4-naphthalen-2-yloxyaniline (PubChem CID 175197159) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-2-yloxyaniline.

Molecular Properties

Compound Name2-chloro-4-naphthalen-2-yloxyaniline
PubChem CID175197159
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name2-chloro-4-naphthalen-2-yloxyaniline
SMILESNc1ccc(Oc2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C16H12ClNO/c17-15-10-14(7-8-16(15)18)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,18H2
InChIKeyVZOSFJYDSPHNAY-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

2-(2-Naphthyloxy)aniline
CID 2302295
4,4'-(Naphthalene-2,7-diylbis(oxy))dianiline
CID 2303422
5-Chloro-2-(2-naphthyloxy)aniline
CID 2337866
ANILINE, p-(5-(2-NAPHTHYLOXY)PENTYLOXY)-
CID 60532
2-(4-Aminophenoxy)naphthalene
CID 3580829
3-Chloro-4-[(4-chloro-1-naphthyl)oxy]aniline
CID 749415
3-Chloro-4-(1-chloronaphthalen-2-yl)oxyaniline
CID 4416190
4-(Naphthalen-1-yloxy)aniline
CID 819583
1,7-Bis(4-aminophenoxy)naphthalene
CID 19007794
4,4'-(Naphthalene-2,6-diylbis(oxy))dianiline
CID 21253702
4-(2-Naphthyloxy)-3-(trifluoromethyl)aniline
CID 12774065
3-Fluoro-4-(2-naphthyloxy)aniline
CID 13237152

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-2-yloxyaniline?
The IUPAC name of 2-chloro-4-naphthalen-2-yloxyaniline (CID 175197159) is 2-chloro-4-naphthalen-2-yloxyaniline.
What is the SMILES notation for 2-chloro-4-naphthalen-2-yloxyaniline?
The canonical SMILES for 2-chloro-4-naphthalen-2-yloxyaniline is Nc1ccc(Oc2ccc3ccccc3c2)cc1Cl.
What is the InChIKey of 2-chloro-4-naphthalen-2-yloxyaniline?
The InChIKey is VZOSFJYDSPHNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-15-10-14(7-8-16(15)18)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,18H2.
What are the key properties of 2-chloro-4-naphthalen-2-yloxyaniline?
2-chloro-4-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 2-chloro-4-naphthalen-2-yloxyaniline is sourced from PubChem (CID 175197159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).