[3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol

C18H27NO2 — CID 105116176

IUPAC[3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCN(C)c1cccc(C(O)C2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C18H27NO2/c1-19(2)16-7-5-6-14(12-16)17(20)15-8-11-21-18(13-15)9-3-4-10-18/h5-7,12,15,17,20H,3-4,8-11,13H2,1-2H3
InChIKeyFOHCMFGPZQAWBN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.53
Rot. Bonds3

About [3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol

[3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 105116176) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID105116176
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name[3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCN(C)c1cccc(C(O)C2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C18H27NO2/c1-19(2)16-7-5-6-14(12-16)17(20)15-8-11-21-18(13-15)9-3-4-10-18/h5-7,12,15,17,20H,3-4,8-11,13H2,1-2H3
InChIKeyFOHCMFGPZQAWBN-UHFFFAOYSA-N
XLogP3.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline
CID 105322169
(3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115819602
[3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115527624
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
cyclohexyl-[3-(dimethylamino)phenyl]methanol
CID 105100536
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
(3-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823077
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81437214

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of [3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 105116176) is [3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for [3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol is CN(C)c1cccc(C(O)C2CCOC3(CCCC3)C2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is FOHCMFGPZQAWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-19(2)16-7-5-6-14(12-16)17(20)15-8-11-21-18(13-15)9-3-4-10-18/h5-7,12,15,17,20H,3-4,8-11,13H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol?
[3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 289.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 105116176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).