(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane

C18H26ClNO — CID 135105810

IUPAC(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@]12CCCN(Cc1ccc(C)cc1Cl)C2
InChIInChI=1S/C18H26ClNO/c1-14-6-7-15(16(19)11-14)12-20-10-4-9-18(13-20)8-3-5-17(18)21-2/h6-7,11,17H,3-5,8-10,12-13H2,1-2H3/t17-,18-/m1/s1
InChIKeyXHJDCNFOCWLXHL-QZTJIDSGSA-N
MW307.86 g/mol
LogP4.43
Rot. Bonds3

About (4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane

(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane (PubChem CID 135105810) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is (4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
PubChem CID135105810
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@]12CCCN(Cc1ccc(C)cc1Cl)C2
InChIInChI=1S/C18H26ClNO/c1-14-6-7-15(16(19)11-14)12-20-10-4-9-18(13-20)8-3-5-17(18)21-2/h6-7,11,17H,3-5,8-10,12-13H2,1-2H3/t17-,18-/m1/s1
InChIKeyXHJDCNFOCWLXHL-QZTJIDSGSA-N
XLogP4.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-7-[(2-chloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135091609
formic acid;(4R,5R)-4-methoxy-7-[(2-methoxy-4-methylphenyl)methyl]-7-azaspiro[4.5]decane
CID 154918113
(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
CID 166619064
(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135089438
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one
CID 165421706
(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105548
8-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]quinoline
CID 165423233
(4R,5R)-7-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 165424063
2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol
CID 135104434
11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 106870402
(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane
CID 165427222
1-[(2-chloro-4-methylphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 106865244

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The IUPAC name of (4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane (CID 135105810) is (4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The canonical SMILES for (4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane is CO[C@@H]1CCC[C@]12CCCN(Cc1ccc(C)cc1Cl)C2.
What is the InChIKey of (4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The InChIKey is XHJDCNFOCWLXHL-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-14-6-7-15(16(19)11-14)12-20-10-4-9-18(13-20)8-3-5-17(18)21-2/h6-7,11,17H,3-5,8-10,12-13H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane has a molecular weight of 307.86 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane is sourced from PubChem (CID 135105810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).