(1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine

C18H21NO3 — CID 70333698

IUPAC(1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine
SMILESCOC1=CC=C2C3c4c(ccc(OC)c4O[C@@H]13)CC2N(C)C
InChIInChI=1S/C18H21NO3/c1-19(2)12-9-10-5-7-13(20-3)17-15(10)16-11(12)6-8-14(21-4)18(16)22-17/h5-8,12,16,18H,9H2,1-4H3/t12?,16?,18-/m0/s1
InChIKeyAEXQPCCAJXBNRM-JIJFEZTESA-N
MW299.37 g/mol
LogP2.50
Rot. Bonds3

About (1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine

(1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine (PubChem CID 70333698) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine.

Molecular Properties

Compound Name(1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine
PubChem CID70333698
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine
SMILESCOC1=CC=C2C3c4c(ccc(OC)c4O[C@@H]13)CC2N(C)C
InChIInChI=1S/C18H21NO3/c1-19(2)12-9-10-5-7-13(20-3)17-15(10)16-11(12)6-8-14(21-4)18(16)22-17/h5-8,12,16,18H,9H2,1-4H3/t12?,16?,18-/m0/s1
InChIKeyAEXQPCCAJXBNRM-JIJFEZTESA-N
XLogP2.50
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine?
The IUPAC name of (1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine (CID 70333698) is (1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine.
What is the SMILES notation for (1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine?
The canonical SMILES for (1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine is COC1=CC=C2C3c4c(ccc(OC)c4O[C@@H]13)CC2N(C)C.
What is the InChIKey of (1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine?
The InChIKey is AEXQPCCAJXBNRM-JIJFEZTESA-N. The full InChI is InChI=1S/C18H21NO3/c1-19(2)12-9-10-5-7-13(20-3)17-15(10)16-11(12)6-8-14(21-4)18(16)22-17/h5-8,12,16,18H,9H2,1-4H3/t12?,16?,18-/m0/s1.
What are the key properties of (1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine?
(1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine has a molecular weight of 299.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine is sourced from PubChem (CID 70333698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).