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

C15H21N — CID 19107110

IUPAC9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESCC1CC2CCCCC2(N)c2ccccc21
InChIInChI=1S/C15H21N/c1-11-10-12-6-4-5-9-15(12,16)14-8-3-2-7-13(11)14/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3
InChIKeyJRUKCOBJHNDAFH-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.54
Rot. Bonds

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

9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (PubChem CID 19107110) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.

Molecular Properties

Compound Name9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
PubChem CID19107110
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESCC1CC2CCCCC2(N)c2ccccc21
InChIInChI=1S/C15H21N/c1-11-10-12-6-4-5-9-15(12,16)14-8-3-2-7-13(11)14/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3
InChIKeyJRUKCOBJHNDAFH-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The IUPAC name of 9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (CID 19107110) is 9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.
What is the SMILES notation for 9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The canonical SMILES for 9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is CC1CC2CCCCC2(N)c2ccccc21.
What is the InChIKey of 9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The InChIKey is JRUKCOBJHNDAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11-10-12-6-4-5-9-15(12,16)14-8-3-2-7-13(11)14/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3.
What are the key properties of 9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine has a molecular weight of 215.34 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is sourced from PubChem (CID 19107110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).