2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one

C16H26N2O2 — CID 82100899

IUPAC2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccc(C(=O)C(C)NCCN(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)20-15-8-6-14(7-9-15)16(19)13(3)17-10-11-18(4)5/h6-9,12-13,17H,10-11H2,1-5H3
InChIKeyKIFVHSVTNDYSKN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.20
Rot. Bonds8

About 2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one

2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one (PubChem CID 82100899) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one
PubChem CID82100899
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccc(C(=O)C(C)NCCN(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)20-15-8-6-14(7-9-15)16(19)13(3)17-10-11-18(4)5/h6-9,12-13,17H,10-11H2,1-5H3
InChIKeyKIFVHSVTNDYSKN-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one 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-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one
CID 82100821
2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one
CID 82100482
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874
2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100873
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252
2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100877
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 22111343
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide
CID 110281894
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100724

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one (CID 82100899) is 2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one is CC(C)Oc1ccc(C(=O)C(C)NCCN(C)C)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is KIFVHSVTNDYSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)20-15-8-6-14(7-9-15)16(19)13(3)17-10-11-18(4)5/h6-9,12-13,17H,10-11H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one?
2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 278.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 82100899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).