3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride

C18H32Cl2N2O2 — CID 131884300

IUPAC3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride
SMILESCC(N)C(OCCN(C(C)C)C(C)C)C(=O)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H30N2O2.2ClH/c1-13(2)20(14(3)4)11-12-22-18(15(5)19)17(21)16-9-7-6-8-10-16;;/h6-10,13-15,18H,11-12,19H2,1-5H3;2*1H
InChIKeyRBYCPEVQYUUPCC-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.56
Rot. Bonds9

About 3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride

3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride (PubChem CID 131884300) has the molecular formula C18H32Cl2N2O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride
PubChem CID131884300
Molecular FormulaC18H32Cl2N2O2
Molecular Weight379.37 g/mol
Exact Mass378.18
IUPAC Name3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride
SMILESCC(N)C(OCCN(C(C)C)C(C)C)C(=O)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H30N2O2.2ClH/c1-13(2)20(14(3)4)11-12-22-18(15(5)19)17(21)16-9-7-6-8-10-16;;/h6-10,13-15,18H,11-12,19H2,1-5H3;2*1H
InChIKeyRBYCPEVQYUUPCC-UHFFFAOYSA-N
XLogP3.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride 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 3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride?
The IUPAC name of 3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride (CID 131884300) is 3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride is CC(N)C(OCCN(C(C)C)C(C)C)C(=O)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride?
The InChIKey is RBYCPEVQYUUPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2.2ClH/c1-13(2)20(14(3)4)11-12-22-18(15(5)19)17(21)16-9-7-6-8-10-16;;/h6-10,13-15,18H,11-12,19H2,1-5H3;2*1H.
What are the key properties of 3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride?
3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride has a molecular weight of 379.37 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;dihydrochloride is sourced from PubChem (CID 131884300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).