2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol

C17H17NO — CID 3039372

IUPAC2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol
SMILESOCCN1C2Cc3ccccc3C1c1ccccc12
InChIInChI=1S/C17H17NO/c19-10-9-18-16-11-12-5-1-2-6-13(12)17(18)15-8-4-3-7-14(15)16/h1-8,16-17,19H,9-11H2
InChIKeyZICXADCUXFAAOU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.68
Rot. Bonds2

About 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol

2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol (PubChem CID 3039372) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol.

Molecular Properties

Compound Name2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol
PubChem CID3039372
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol
SMILESOCCN1C2Cc3ccccc3C1c1ccccc12
InChIInChI=1S/C17H17NO/c19-10-9-18-16-11-12-5-1-2-6-13(12)17(18)15-8-4-3-7-14(15)16/h1-8,16-17,19H,9-11H2
InChIKeyZICXADCUXFAAOU-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol with MolForge

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Related Compounds

Mcn 4612
CID 135949
6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
CID 13202963
1,16-Dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
CID 12477260
(10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride
CID 45263057
2-(16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol
CID 13192730
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-ylmethanol
CID 13928808
5H-Dibenzo(a,d)cyclohepten-5,10-imine, 10,11-dihydro-12-methyl-, (+-)-
CID 3039379
1,9,16-Trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
CID 12533743
(6R,10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride
CID 13202964
(6S,10bR)-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 13903139
(6S,10bR)-6-(2-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 13903183
(6S,10bR)-6-(4-butylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 13903188

Frequently Asked Questions

What is the IUPAC name of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol?
The IUPAC name of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol (CID 3039372) is 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol.
What is the SMILES notation for 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol?
The canonical SMILES for 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol is OCCN1C2Cc3ccccc3C1c1ccccc12.
What is the InChIKey of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol?
The InChIKey is ZICXADCUXFAAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-10-9-18-16-11-12-5-1-2-6-13(12)17(18)15-8-4-3-7-14(15)16/h1-8,16-17,19H,9-11H2.
What are the key properties of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol?
2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol is sourced from PubChem (CID 3039372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).