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

C16H23NO2 — CID 106695822

IUPAC(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESNc1cccc(C(O)C2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C16H23NO2/c17-14-5-3-4-12(10-14)15(18)13-6-9-19-16(11-13)7-1-2-8-16/h3-5,10,13,15,18H,1-2,6-9,11,17H2
InChIKeyYMCZAJZWHOKFPF-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.04
Rot. Bonds2

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

(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 106695822) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID106695822
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESNc1cccc(C(O)C2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C16H23NO2/c17-14-5-3-4-12(10-14)15(18)13-6-9-19-16(11-13)7-1-2-8-16/h3-5,10,13,15,18H,1-2,6-9,11,17H2
InChIKeyYMCZAJZWHOKFPF-UHFFFAOYSA-N
XLogP3.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
(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-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116176
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81437214
(4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79970798
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
(3-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823077
(3-bromo-4-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79906549

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 106695822) is (3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is Nc1cccc(C(O)C2CCOC3(CCCC3)C2)c1.
What is the InChIKey of (3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is YMCZAJZWHOKFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-14-5-3-4-12(10-14)15(18)13-6-9-19-16(11-13)7-1-2-8-16/h3-5,10,13,15,18H,1-2,6-9,11,17H2.
What are the key properties of (3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 261.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 106695822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).