5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline

C16H16INO — CID 66081752

IUPAC5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
SMILESNc1cc(I)ccc1OC1CCCc2ccccc21
InChIInChI=1S/C16H16INO/c17-12-8-9-16(14(18)10-12)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15H,3,5,7,18H2
InChIKeyXQKYLQCICNFPKO-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.33
Rot. Bonds2

About 5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline

5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline (PubChem CID 66081752) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is 5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline.

Molecular Properties

Compound Name5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
PubChem CID66081752
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC Name5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
SMILESNc1cc(I)ccc1OC1CCCc2ccccc21
InChIInChI=1S/C16H16INO/c17-12-8-9-16(14(18)10-12)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15H,3,5,7,18H2
InChIKeyXQKYLQCICNFPKO-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66101922
2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 60790202
4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
CID 63356926
(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937787
(1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937764
3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde
CID 43826149
2-[2-amino-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]acetonitrile
CID 102624855
N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide
CID 43200026
4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
CID 80859900
5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine
CID 103518708
6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
CID 116797621
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 62497436

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline?
The IUPAC name of 5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline (CID 66081752) is 5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline.
What is the SMILES notation for 5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline?
The canonical SMILES for 5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline is Nc1cc(I)ccc1OC1CCCc2ccccc21.
What is the InChIKey of 5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline?
The InChIKey is XQKYLQCICNFPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c17-12-8-9-16(14(18)10-12)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15H,3,5,7,18H2.
What are the key properties of 5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline?
5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline has a molecular weight of 365.21 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline is sourced from PubChem (CID 66081752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).