8-anilinotricyclo[4.2.1.03,7]nonan-3-ol

C15H19NO — CID 564858

IUPAC8-anilinotricyclo[4.2.1.03,7]nonan-3-ol
SMILESOC12CCC3CC(C1)C(Nc1ccccc1)C32
InChIInChI=1S/C15H19NO/c17-15-7-6-10-8-11(9-15)14(13(10)15)16-12-4-2-1-3-5-12/h1-5,10-11,13-14,16-17H,6-9H2
InChIKeyRGHKHBGVOWIFHN-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.65
Rot. Bonds2

About 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol

8-anilinotricyclo[4.2.1.03,7]nonan-3-ol (PubChem CID 564858) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol.

Molecular Properties

Compound Name8-anilinotricyclo[4.2.1.03,7]nonan-3-ol
PubChem CID564858
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name8-anilinotricyclo[4.2.1.03,7]nonan-3-ol
SMILESOC12CCC3CC(C1)C(Nc1ccccc1)C32
InChIInChI=1S/C15H19NO/c17-15-7-6-10-8-11(9-15)14(13(10)15)16-12-4-2-1-3-5-12/h1-5,10-11,13-14,16-17H,6-9H2
InChIKeyRGHKHBGVOWIFHN-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenylbicyclo[3.2.1]octan-2-amine
CID 13239319
N-(3,3-difluorocyclopentyl)aniline
CID 170406665
(1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol
CID 130927450
N-cyclopropylaniline;hydrochloride
CID 44717153
N-(2,2-dimethylcyclopropyl)aniline
CID 122457066
11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
CID 15489266
methyl 6-[(1S,2S,3S,4R)-3-anilino-2-bicyclo[2.2.1]heptanyl]-6-oxohexanoate
CID 11255957
N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897459
cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
CID 142660752
(1S,2S,3S,4R)-3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 1216637
4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid
CID 139997822
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760

Frequently Asked Questions

What is the IUPAC name of 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol?
The IUPAC name of 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol (CID 564858) is 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol.
What is the SMILES notation for 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol?
The canonical SMILES for 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol is OC12CCC3CC(C1)C(Nc1ccccc1)C32.
What is the InChIKey of 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol?
The InChIKey is RGHKHBGVOWIFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15-7-6-10-8-11(9-15)14(13(10)15)16-12-4-2-1-3-5-12/h1-5,10-11,13-14,16-17H,6-9H2.
What are the key properties of 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol?
8-anilinotricyclo[4.2.1.03,7]nonan-3-ol has a molecular weight of 229.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol is sourced from PubChem (CID 564858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).