(2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol

C18H30N2O2 — CID 6358994

IUPAC(2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol
SMILESCCN1CCC[C@@H]1CNC[C@@H](O)COc1c(C)cccc1C
InChIInChI=1S/C18H30N2O2/c1-4-20-10-6-9-16(20)11-19-12-17(21)13-22-18-14(2)7-5-8-15(18)3/h5,7-8,16-17,19,21H,4,6,9-13H2,1-3H3/t16-,17-/m1/s1
InChIKeyXLADGMJAOJTUKK-IAGOWNOFSA-N
MW306.45 g/mol
LogP2.12
Rot. Bonds8

About (2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol

(2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol (PubChem CID 6358994) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol
PubChem CID6358994
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol
SMILESCCN1CCC[C@@H]1CNC[C@@H](O)COc1c(C)cccc1C
InChIInChI=1S/C18H30N2O2/c1-4-20-10-6-9-16(20)11-19-12-17(21)13-22-18-14(2)7-5-8-15(18)3/h5,7-8,16-17,19,21H,4,6,9-13H2,1-3H3/t16-,17-/m1/s1
InChIKeyXLADGMJAOJTUKK-IAGOWNOFSA-N
XLogP2.12
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol 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

1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol
CID 3379940
1-(4-bromophenoxy)-3-[(1-ethylpyrrolidin-2-yl)methylamino]propan-2-ol
CID 60632855
3-[(1-ethylpyrrolidin-2-yl)methylamino]propane-1,2-diol
CID 76891505
1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60632781
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 63296307
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 43090638
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 43180059
1-(2,6-dimethylphenoxy)-3-(2-methylbutylamino)propan-2-ol
CID 62692017
1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol
CID 106813078
1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol
CID 60633323
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol (CID 6358994) is (2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol is CCN1CCC[C@@H]1CNC[C@@H](O)COc1c(C)cccc1C.
What is the InChIKey of (2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol?
The InChIKey is XLADGMJAOJTUKK-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-20-10-6-9-16(20)11-19-12-17(21)13-22-18-14(2)7-5-8-15(18)3/h5,7-8,16-17,19,21H,4,6,9-13H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of (2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol?
(2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol has a molecular weight of 306.45 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 6358994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).