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

C21H25N — CID 138977307

IUPAC9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine
SMILESCC1(Nc2ccccc2)CC2CCCCC2c2ccccc21
InChIInChI=1S/C21H25N/c1-21(22-17-10-3-2-4-11-17)15-16-9-5-6-12-18(16)19-13-7-8-14-20(19)21/h2-4,7-8,10-11,13-14,16,18,22H,5-6,9,12,15H2,1H3
InChIKeyGVDBRHSIMIHSQE-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.69
Rot. Bonds2

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

9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine (PubChem CID 138977307) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine.

Molecular Properties

Compound Name9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine
PubChem CID138977307
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine
SMILESCC1(Nc2ccccc2)CC2CCCCC2c2ccccc21
InChIInChI=1S/C21H25N/c1-21(22-17-10-3-2-4-11-17)15-16-9-5-6-12-18(16)19-13-7-8-14-20(19)21/h2-4,7-8,10-11,13-14,16,18,22H,5-6,9,12,15H2,1H3
InChIKeyGVDBRHSIMIHSQE-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-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-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine?
The IUPAC name of 9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine (CID 138977307) is 9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine.
What is the SMILES notation for 9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine?
The canonical SMILES for 9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine is CC1(Nc2ccccc2)CC2CCCCC2c2ccccc21.
What is the InChIKey of 9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine?
The InChIKey is GVDBRHSIMIHSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-21(22-17-10-3-2-4-11-17)15-16-9-5-6-12-18(16)19-13-7-8-14-20(19)21/h2-4,7-8,10-11,13-14,16,18,22H,5-6,9,12,15H2,1H3.
What are the key properties of 9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine?
9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine has a molecular weight of 291.44 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-amine is sourced from PubChem (CID 138977307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).