anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane

C19H37NO2 — CID 142251060

IUPACanisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane
SMILESCC.CCC[C@@H](O)[C@H](CC)CN(C)C.COc1ccccc1
InChIInChI=1S/C10H23NO.C7H8O.C2H6/c1-5-7-10(12)9(6-2)8-11(3)4;1-8-7-5-3-2-4-6-7;1-2/h9-10,12H,5-8H2,1-4H3;2-6H,1H3;1-2H3/t9-,10-;;/m1../s1
InChIKeyUKGZCSIEGWMDIM-HSTMFJOWSA-N
MW311.51 g/mol
LogP4.46
Rot. Bonds7

About anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane

anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane (PubChem CID 142251060) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane.

Molecular Properties

Compound Nameanisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane
PubChem CID142251060
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Nameanisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane
SMILESCC.CCC[C@@H](O)[C@H](CC)CN(C)C.COc1ccccc1
InChIInChI=1S/C10H23NO.C7H8O.C2H6/c1-5-7-10(12)9(6-2)8-11(3)4;1-8-7-5-3-2-4-6-7;1-2/h9-10,12H,5-8H2,1-4H3;2-6H,1H3;1-2H3/t9-,10-;;/m1../s1
InChIKeyUKGZCSIEGWMDIM-HSTMFJOWSA-N
XLogP4.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane 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 anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane?
The IUPAC name of anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane (CID 142251060) is anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane.
What is the SMILES notation for anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane?
The canonical SMILES for anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane is CC.CCC[C@@H](O)[C@H](CC)CN(C)C.COc1ccccc1.
What is the InChIKey of anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane?
The InChIKey is UKGZCSIEGWMDIM-HSTMFJOWSA-N. The full InChI is InChI=1S/C10H23NO.C7H8O.C2H6/c1-5-7-10(12)9(6-2)8-11(3)4;1-8-7-5-3-2-4-6-7;1-2/h9-10,12H,5-8H2,1-4H3;2-6H,1H3;1-2H3/t9-,10-;;/m1../s1.
What are the key properties of anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane?
anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane has a molecular weight of 311.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane is sourced from PubChem (CID 142251060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).