(3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

C17H25NO2 — CID 97418757

IUPAC(3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@@H]1COC2(CCN(Cc3ccccc3C)CC2)C1
InChIInChI=1S/C17H25NO2/c1-14-5-3-4-6-15(14)12-18-9-7-17(8-10-18)11-16(19-2)13-20-17/h3-6,16H,7-13H2,1-2H3/t16-/m0/s1
InChIKeySWLACDBJMBICLK-INIZCTEOSA-N
MW275.39 g/mol
LogP2.76
Rot. Bonds3

About (3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

(3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97418757) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID97418757
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@@H]1COC2(CCN(Cc3ccccc3C)CC2)C1
InChIInChI=1S/C17H25NO2/c1-14-5-3-4-6-15(14)12-18-9-7-17(8-10-18)11-16(19-2)13-20-17/h3-6,16H,7-13H2,1-2H3/t16-/m0/s1
InChIKeySWLACDBJMBICLK-INIZCTEOSA-N
XLogP2.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 97418763
8-[(2-methylphenyl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131639785
(3R)-8-[(2-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418922
(3R,5R)-7-[(2-fluorophenyl)methyl]-3-methoxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394141
N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 146475898
(3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 97450720
(3S)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 97450721
(5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97475433
8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
CID 134074923
(3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97477567
3-methoxy-8-[(5-methylfuran-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155855672
(3S)-8-[(5-methylfuran-2-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
CID 97371216

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 97418757) is (3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is CO[C@@H]1COC2(CCN(Cc3ccccc3C)CC2)C1.
What is the InChIKey of (3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is SWLACDBJMBICLK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14-5-3-4-6-15(14)12-18-9-7-17(8-10-18)11-16(19-2)13-20-17/h3-6,16H,7-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
(3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 275.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97418757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).