9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane

C15H21ClN2 — CID 66257215

IUPAC9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane
SMILESCc1cccc(Cl)c1N1CCNC2(CCCC2)C1
InChIInChI=1S/C15H21ClN2/c1-12-5-4-6-13(16)14(12)18-10-9-17-15(11-18)7-2-3-8-15/h4-6,17H,2-3,7-11H2,1H3
InChIKeyIXJHXWHRRRAMND-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.37
Rot. Bonds1

About 9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane

9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane (PubChem CID 66257215) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane
PubChem CID66257215
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane
SMILESCc1cccc(Cl)c1N1CCNC2(CCCC2)C1
InChIInChI=1S/C15H21ClN2/c1-12-5-4-6-13(16)14(12)18-10-9-17-15(11-18)7-2-3-8-15/h4-6,17H,2-3,7-11H2,1H3
InChIKeyIXJHXWHRRRAMND-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64924817
9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 66254919
4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 66252023
9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane
CID 83082638
4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64952525
4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64926469
10-(3-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64944935
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64926208
9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane
CID 64925677
9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane
CID 64954522
10-[(2,6-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64870099
11-[(2,6-dichlorophenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64859040

Frequently Asked Questions

What is the IUPAC name of 9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane (CID 66257215) is 9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane is Cc1cccc(Cl)c1N1CCNC2(CCCC2)C1.
What is the InChIKey of 9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is IXJHXWHRRRAMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-12-5-4-6-13(16)14(12)18-10-9-17-15(11-18)7-2-3-8-15/h4-6,17H,2-3,7-11H2,1H3.
What are the key properties of 9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane?
9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 264.80 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 66257215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).