4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline

C16H23NO2 — CID 79904831

IUPAC4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
SMILESNc1ccc(OC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C16H23NO2/c17-13-4-6-14(7-5-13)19-15-8-11-18-16(12-15)9-2-1-3-10-16/h4-7,15H,1-3,8-12,17H2
InChIKeyNUYHLZMCSLRKHN-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.53
Rot. Bonds2

About 4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline

4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline (PubChem CID 79904831) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline.

Molecular Properties

Compound Name4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
PubChem CID79904831
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
SMILESNc1ccc(OC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C16H23NO2/c17-13-4-6-14(7-5-13)19-15-8-11-18-16(12-15)9-2-1-3-10-16/h4-7,15H,1-3,8-12,17H2
InChIKeyNUYHLZMCSLRKHN-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79902831
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79911910
4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904986
2-[5-(1-oxaspiro[5.5]undecan-4-yloxy)-2-pyridinyl]ethanamine
CID 79908457
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79905115
5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79898658
N-methyl-1-[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79899854
4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 102702521

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline?
The IUPAC name of 4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline (CID 79904831) is 4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline.
What is the SMILES notation for 4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline?
The canonical SMILES for 4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline is Nc1ccc(OC2CCOC3(CCCCC3)C2)cc1.
What is the InChIKey of 4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline?
The InChIKey is NUYHLZMCSLRKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-13-4-6-14(7-5-13)19-15-8-11-18-16(12-15)9-2-1-3-10-16/h4-7,15H,1-3,8-12,17H2.
What are the key properties of 4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline?
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline has a molecular weight of 261.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline is sourced from PubChem (CID 79904831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).