2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol

C16H22N2O3 — CID 123198433

IUPAC2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol
SMILESCNC1Cc2ccc(OC)c3c2C2C(O3)C(N)CCC12O
InChIInChI=1S/C16H22N2O3/c1-18-11-7-8-3-4-10(20-2)15-12(8)13-14(21-15)9(17)5-6-16(11,13)19/h3-4,9,11,13-14,18-19H,5-7,17H2,1-2H3
InChIKeyBMIZKTICRDXPFR-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.54
Rot. Bonds2

About 2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol

2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol (PubChem CID 123198433) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol.

Molecular Properties

Compound Name2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol
PubChem CID123198433
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol
SMILESCNC1Cc2ccc(OC)c3c2C2C(O3)C(N)CCC12O
InChIInChI=1S/C16H22N2O3/c1-18-11-7-8-3-4-10(20-2)15-12(8)13-14(21-15)9(17)5-6-16(11,13)19/h3-4,9,11,13-14,18-19H,5-7,17H2,1-2H3
InChIKeyBMIZKTICRDXPFR-UHFFFAOYSA-N
XLogP0.54
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol
CID 134525959
methyl (1S,2R,5S,6S,14R)-2-hydroxy-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylate
CID 10662273
methyl (1S,2S,5S,6S,14R)-2-hydroxy-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylate
CID 10494714
(1S,5S,13R,17R)-4-amino-17-hydroxy-10-methoxy-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-one
CID 118370688
(1S,5S,17R)-4-amino-17-hydroxy-10-methoxy-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-one
CID 123155089
12-methoxy-16-oxa-7-azapentacyclo[11.2.1.05,15.06,8.09,14]hexadeca-9(14),10,12-trien-5-ol
CID 123446527
(1S,2S,6S)-6-[ethyl(methyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol
CID 147763261
11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol
CID 170196060
9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene
CID 123460247
(1S,6S)-N-(cyclopropylmethyl)-2,2-difluoro-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-6-amine
CID 142605813
(1S,2S,5S,6S,14R)-11-methoxy-2-(methoxymethoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-6-carboxylic acid
CID 10568713
(4S,12bS)-3-(cyclopropylmethyl)-9-methoxy-7-(methylamino)-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
CID 59965599

Frequently Asked Questions

What is the IUPAC name of 2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol?
The IUPAC name of 2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol (CID 123198433) is 2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol.
What is the SMILES notation for 2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol?
The canonical SMILES for 2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol is CNC1Cc2ccc(OC)c3c2C2C(O3)C(N)CCC12O.
What is the InChIKey of 2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol?
The InChIKey is BMIZKTICRDXPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18-11-7-8-3-4-10(20-2)15-12(8)13-14(21-15)9(17)5-6-16(11,13)19/h3-4,9,11,13-14,18-19H,5-7,17H2,1-2H3.
What are the key properties of 2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol?
2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol has a molecular weight of 290.36 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol is sourced from PubChem (CID 123198433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).