(9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine

C13H15NO2 — CID 10910979

IUPAC(9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine
SMILESCOc1ccc2c3c1C(CN)=CCC3CO2
InChIInChI=1S/C13H15NO2/c1-15-10-4-5-11-13-9(7-16-11)3-2-8(6-14)12(10)13/h2,4-5,9H,3,6-7,14H2,1H3
InChIKeyAVFKTAMKMXOZCI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.92
Rot. Bonds2

About (9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine

(9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine (PubChem CID 10910979) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine.

Molecular Properties

Compound Name(9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine
PubChem CID10910979
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine
SMILESCOc1ccc2c3c1C(CN)=CCC3CO2
InChIInChI=1S/C13H15NO2/c1-15-10-4-5-11-13-9(7-16-11)3-2-8(6-14)12(10)13/h2,4-5,9H,3,6-7,14H2,1H3
InChIKeyAVFKTAMKMXOZCI-UHFFFAOYSA-N
XLogP1.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine with MolForge

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Related Compounds

(4S,7R)-7-(aminomethyl)-9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-7-ol
CID 129382753
(3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile
CID 130707445
4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
(4S,6R)-N-benzyl-9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-6-amine
CID 10709004
[3-(5-methoxy-1,3-benzodioxol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117375304
(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol
CID 130642446
(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol
CID 130665432
(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 59185838
(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
(3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene
CID 100986544
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129462509
bis(dichloromethane);1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 139040001

Frequently Asked Questions

What is the IUPAC name of (9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine?
The IUPAC name of (9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine (CID 10910979) is (9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine.
What is the SMILES notation for (9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine?
The canonical SMILES for (9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine is COc1ccc2c3c1C(CN)=CCC3CO2.
What is the InChIKey of (9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine?
The InChIKey is AVFKTAMKMXOZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-15-10-4-5-11-13-9(7-16-11)3-2-8(6-14)12(10)13/h2,4-5,9H,3,6-7,14H2,1H3.
What are the key properties of (9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine?
(9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine is sourced from PubChem (CID 10910979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).