(5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine

C17H25ClN2O — CID 124806617

IUPAC(5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESCN(C)[C@H]1CCO[C@@]2(CCN(Cc3ccccc3Cl)C2)C1
InChIInChI=1S/C17H25ClN2O/c1-19(2)15-7-10-21-17(11-15)8-9-20(13-17)12-14-5-3-4-6-16(14)18/h3-6,15H,7-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyOBXXTYYJBSXFKD-RDJZCZTQSA-N
MW308.85 g/mol
LogP3.03
Rot. Bonds3

About (5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine

(5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine (PubChem CID 124806617) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine
PubChem CID124806617
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESCN(C)[C@H]1CCO[C@@]2(CCN(Cc3ccccc3Cl)C2)C1
InChIInChI=1S/C17H25ClN2O/c1-19(2)15-7-10-21-17(11-15)8-9-20(13-17)12-14-5-3-4-6-16(14)18/h3-6,15H,7-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyOBXXTYYJBSXFKD-RDJZCZTQSA-N
XLogP3.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,9S)-2-[2-(4-chlorophenoxy)ethyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124810413
3-[9-[(2-chlorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1,1-dimethylurea
CID 131661376
(5R,9R)-2-[(2,5-dimethylphenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine;2,2,2-trifluoroacetic acid
CID 155847661
N-[(4R)-9-[(2-chlorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 98894396
4-[[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]benzonitrile
CID 131640622
(3R)-8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 97418763
(4S)-9-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 98895506
2-[[(8S)-2-[(2-chlorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124785582
[(5S,9S)-2-benzyl-6-oxa-2-azaspiro[4.5]decan-9-yl] methanesulfonate
CID 95970365
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919087
(5R,9S)-2-[(2-fluorophenyl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155830484

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The IUPAC name of (5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine (CID 124806617) is (5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine.
What is the SMILES notation for (5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The canonical SMILES for (5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine is CN(C)[C@H]1CCO[C@@]2(CCN(Cc3ccccc3Cl)C2)C1.
What is the InChIKey of (5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The InChIKey is OBXXTYYJBSXFKD-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-19(2)15-7-10-21-17(11-15)8-9-20(13-17)12-14-5-3-4-6-16(14)18/h3-6,15H,7-13H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of (5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine?
(5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine has a molecular weight of 308.85 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine is sourced from PubChem (CID 124806617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).