6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine

C15H21NO — CID 19107082

IUPAC6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESCOc1ccc2c(c1)C1(N)CCCCC1CC2
InChIInChI=1S/C15H21NO/c1-17-13-8-6-11-5-7-12-4-2-3-9-15(12,16)14(11)10-13/h6,8,10,12H,2-5,7,9,16H2,1H3
InChIKeyIDMWBLWTWIEBSD-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.99
Rot. Bonds1

About 6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine

6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (PubChem CID 19107082) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.

Molecular Properties

Compound Name6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
PubChem CID19107082
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESCOc1ccc2c(c1)C1(N)CCCCC1CC2
InChIInChI=1S/C15H21NO/c1-17-13-8-6-11-5-7-12-4-2-3-9-15(12,16)14(11)10-13/h6,8,10,12H,2-5,7,9,16H2,1H3
InChIKeyIDMWBLWTWIEBSD-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The IUPAC name of 6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (CID 19107082) is 6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.
What is the SMILES notation for 6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The canonical SMILES for 6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is COc1ccc2c(c1)C1(N)CCCCC1CC2.
What is the InChIKey of 6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The InChIKey is IDMWBLWTWIEBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-13-8-6-11-5-7-12-4-2-3-9-15(12,16)14(11)10-13/h6,8,10,12H,2-5,7,9,16H2,1H3.
What are the key properties of 6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine has a molecular weight of 231.34 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is sourced from PubChem (CID 19107082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).