2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline

C15H21NO2 — CID 79905115

IUPAC2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
SMILESCc1cc(OC2CCOC3(CCC3)C2)ccc1N
InChIInChI=1S/C15H21NO2/c1-11-9-12(3-4-14(11)16)18-13-5-8-17-15(10-13)6-2-7-15/h3-4,9,13H,2,5-8,10,16H2,1H3
InChIKeySZDXNTXFIDMDAJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.06
Rot. Bonds2

About 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline

2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline (PubChem CID 79905115) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline.

Molecular Properties

Compound Name2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
PubChem CID79905115
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
SMILESCc1cc(OC2CCOC3(CCC3)C2)ccc1N
InChIInChI=1S/C15H21NO2/c1-11-9-12(3-4-14(11)16)18-13-5-8-17-15(10-13)6-2-7-15/h3-4,9,13H,2,5-8,10,16H2,1H3
InChIKeySZDXNTXFIDMDAJ-UHFFFAOYSA-N
XLogP3.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904915
9-(4-bromo-3,5-dimethylphenoxy)-6-oxaspiro[4.5]decane
CID 107723955
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 102702521
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
CID 79906398
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
8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane
CID 82727190
6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine
CID 79900430
5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79898658

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline?
The IUPAC name of 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline (CID 79905115) is 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline.
What is the SMILES notation for 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline?
The canonical SMILES for 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline is Cc1cc(OC2CCOC3(CCC3)C2)ccc1N.
What is the InChIKey of 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline?
The InChIKey is SZDXNTXFIDMDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-9-12(3-4-14(11)16)18-13-5-8-17-15(10-13)6-2-7-15/h3-4,9,13H,2,5-8,10,16H2,1H3.
What are the key properties of 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline?
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline has a molecular weight of 247.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline is sourced from PubChem (CID 79905115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).