4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol

C20H23NO2 — CID 167480908

IUPAC4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol
SMILESNC1CCOC(C2c3ccccc3CCc3ccccc32)C1O
InChIInChI=1S/C20H23NO2/c21-17-11-12-23-20(19(17)22)18-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)18/h1-8,17-20,22H,9-12,21H2
InChIKeyZKAVJVRULCNZCM-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.39
Rot. Bonds1

About 4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol

4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol (PubChem CID 167480908) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol.

Molecular Properties

Compound Name4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol
PubChem CID167480908
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol
SMILESNC1CCOC(C2c3ccccc3CCc3ccccc32)C1O
InChIInChI=1S/C20H23NO2/c21-17-11-12-23-20(19(17)22)18-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)18/h1-8,17-20,22H,9-12,21H2
InChIKeyZKAVJVRULCNZCM-UHFFFAOYSA-N
XLogP2.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol with MolForge

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Related Compounds

N-[3-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 167480865
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane
CID 167480833
(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 172885282
[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 96762744
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
(6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 53322291
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium
CID 7009453
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol?
The IUPAC name of 4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol (CID 167480908) is 4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol.
What is the SMILES notation for 4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol?
The canonical SMILES for 4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol is NC1CCOC(C2c3ccccc3CCc3ccccc32)C1O.
What is the InChIKey of 4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol?
The InChIKey is ZKAVJVRULCNZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c21-17-11-12-23-20(19(17)22)18-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)18/h1-8,17-20,22H,9-12,21H2.
What are the key properties of 4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol?
4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol has a molecular weight of 309.41 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol is sourced from PubChem (CID 167480908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).