9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine

C15H17NO — CID 10775682

IUPAC9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine
SMILESCOc1c2c(cc3ccccc13)CCC(N)C2
InChIInChI=1S/C15H17NO/c1-17-15-13-5-3-2-4-10(13)8-11-6-7-12(16)9-14(11)15/h2-5,8,12H,6-7,9,16H2,1H3
InChIKeyXZOPIEFNQZTGHL-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.66
Rot. Bonds1

About 9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine

9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine (PubChem CID 10775682) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine.

Molecular Properties

Compound Name9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine
PubChem CID10775682
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine
SMILESCOc1c2c(cc3ccccc13)CCC(N)C2
InChIInChI=1S/C15H17NO/c1-17-15-13-5-3-2-4-10(13)8-11-6-7-12(16)9-14(11)15/h2-5,8,12H,6-7,9,16H2,1H3
InChIKeyXZOPIEFNQZTGHL-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine?
The IUPAC name of 9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine (CID 10775682) is 9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine.
What is the SMILES notation for 9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine?
The canonical SMILES for 9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine is COc1c2c(cc3ccccc13)CCC(N)C2.
What is the InChIKey of 9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine?
The InChIKey is XZOPIEFNQZTGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-17-15-13-5-3-2-4-10(13)8-11-6-7-12(16)9-14(11)15/h2-5,8,12H,6-7,9,16H2,1H3.
What are the key properties of 9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine?
9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine is sourced from PubChem (CID 10775682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).