2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine

C21H31NO — CID 166637130

IUPAC2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCC12CCCCC1(C)C=Cc1ccc(C)cc12
InChIInChI=1S/C21H31NO/c1-17-6-7-18-8-11-20(2)9-4-5-10-21(20,19(18)16-17)12-13-22-14-15-23-3/h6-8,11,16,22H,4-5,9-10,12-15H2,1-3H3
InChIKeyGLGMFRNGFVOFEM-UHFFFAOYSA-N
MW313.49 g/mol
LogP4.47
Rot. Bonds6

About 2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine

2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 166637130) has the molecular formula C21H31NO and a molecular weight of 313.49 g/mol. Its IUPAC name is 2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID166637130
Molecular FormulaC21H31NO
Molecular Weight313.49 g/mol
Exact Mass313.24
IUPAC Name2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCC12CCCCC1(C)C=Cc1ccc(C)cc12
InChIInChI=1S/C21H31NO/c1-17-6-7-18-8-11-20(2)9-4-5-10-21(20,19(18)16-17)12-13-22-14-15-23-3/h6-8,11,16,22H,4-5,9-10,12-15H2,1-3H3
InChIKeyGLGMFRNGFVOFEM-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-[[3-(4-tert-Butylphenyl)-2-methylpropyl]amino]ethanol
CID 139596372
(4beta)-N-isopropylabieta-8,11,13-trien-18-amine
CID 5701843
(2,4-Dimethylbenzyl)(2-methoxy-1-methylethyl)amine
CID 2850780
N-[(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)methyl]-2-methoxy-N-methylethanamine
CID 166637129
[(3,4-Dimethylphenyl)methyl](2-methoxyethyl)amine
CID 43220287
2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclohexyl)methyl]ethanamine
CID 15105210
2-methoxy-N-(pyren-1-ylmethyl)ethanamine;hydrochloride
CID 45260806
2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamino]ethanol;hydrochloride
CID 118717307
US10301253, Example 45
CID 122463389
(2-Methoxyethyl)[(naphthalen-1-yl)methyl]amine
CID 3837636
((2,4-Dimethylphenyl)methyl)(2-methoxyethyl)amine
CID 28425716
N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 2846517

Frequently Asked Questions

What is the IUPAC name of 2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine (CID 166637130) is 2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine is COCCNCCC12CCCCC1(C)C=Cc1ccc(C)cc12.
What is the InChIKey of 2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is GLGMFRNGFVOFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO/c1-17-6-7-18-8-11-20(2)9-4-5-10-21(20,19(18)16-17)12-13-22-14-15-23-3/h6-8,11,16,22H,4-5,9-10,12-15H2,1-3H3.
What are the key properties of 2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine?
2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 313.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,10a-dimethyl-1,2,3,4-tetrahydrophenanthren-4a-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 166637130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).