9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine

C15H19N — CID 19107051

IUPAC9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine
SMILESCC1CC2CC=CCC2(N)c2ccccc21
InChIInChI=1S/C15H19N/c1-11-10-12-6-4-5-9-15(12,16)14-8-3-2-7-13(11)14/h2-5,7-8,11-12H,6,9-10,16H2,1H3
InChIKeyYNGOOJPAPKPVGN-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.31
Rot. Bonds

About 9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine

9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine (PubChem CID 19107051) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine.

Molecular Properties

Compound Name9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine
PubChem CID19107051
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine
SMILESCC1CC2CC=CCC2(N)c2ccccc21
InChIInChI=1S/C15H19N/c1-11-10-12-6-4-5-9-15(12,16)14-8-3-2-7-13(11)14/h2-5,7-8,11-12H,6,9-10,16H2,1H3
InChIKeyYNGOOJPAPKPVGN-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine?
The IUPAC name of 9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine (CID 19107051) is 9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine.
What is the SMILES notation for 9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine?
The canonical SMILES for 9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine is CC1CC2CC=CCC2(N)c2ccccc21.
What is the InChIKey of 9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine?
The InChIKey is YNGOOJPAPKPVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-11-10-12-6-4-5-9-15(12,16)14-8-3-2-7-13(11)14/h2-5,7-8,11-12H,6,9-10,16H2,1H3.
What are the key properties of 9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine?
9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine has a molecular weight of 213.32 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine is sourced from PubChem (CID 19107051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).