(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine

C18H20N2O — CID 44568533

IUPAC(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine
SMILESCOc1cc2c3c(c1)-c1c(N)cccc1C[C@H]3N(C)CC2
InChIInChI=1S/C18H20N2O/c1-20-7-6-12-8-13(21-2)10-14-17-11(4-3-5-15(17)19)9-16(20)18(12)14/h3-5,8,10,16H,6-7,9,19H2,1-2H3/t16-/m1/s1
InChIKeyRHZAGARGKYFZJB-MRXNPFEDSA-N
MW280.37 g/mol
LogP3.03
Rot. Bonds1

About (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine

(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine (PubChem CID 44568533) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine.

Molecular Properties

Compound Name(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine
PubChem CID44568533
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine
SMILESCOc1cc2c3c(c1)-c1c(N)cccc1C[C@H]3N(C)CC2
InChIInChI=1S/C18H20N2O/c1-20-7-6-12-8-13(21-2)10-14-17-11(4-3-5-15(17)19)9-16(20)18(12)14/h3-5,8,10,16H,6-7,9,19H2,1-2H3/t16-/m1/s1
InChIKeyRHZAGARGKYFZJB-MRXNPFEDSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine?
The IUPAC name of (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine (CID 44568533) is (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine.
What is the SMILES notation for (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine?
The canonical SMILES for (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine is COc1cc2c3c(c1)-c1c(N)cccc1C[C@H]3N(C)CC2.
What is the InChIKey of (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine?
The InChIKey is RHZAGARGKYFZJB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20-7-6-12-8-13(21-2)10-14-17-11(4-3-5-15(17)19)9-16(20)18(12)14/h3-5,8,10,16H,6-7,9,19H2,1-2H3/t16-/m1/s1.
What are the key properties of (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine?
(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine has a molecular weight of 280.37 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine is sourced from PubChem (CID 44568533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).