1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride

C18H30ClNO2 — CID 138398535

IUPAC1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)c1ccccc1OCCN(C(C)C)C(C)C.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-13(2)18(20)16-9-7-8-10-17(16)21-12-11-19(14(3)4)15(5)6;/h7-10,13-15H,11-12H2,1-6H3;1H
InChIKeyXVLYXOOFLZPBKQ-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.44
Rot. Bonds8

About 1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride

1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride (PubChem CID 138398535) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is 1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride
PubChem CID138398535
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Name1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)c1ccccc1OCCN(C(C)C)C(C)C.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-13(2)18(20)16-9-7-8-10-17(16)21-12-11-19(14(3)4)15(5)6;/h7-10,13-15H,11-12H2,1-6H3;1H
InChIKeyXVLYXOOFLZPBKQ-UHFFFAOYSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pentyl 2-[2-[di(propan-2-yl)amino]ethoxy]benzoate
CID 20563394
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine
CID 155988340
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid
CID 115505662
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid
CID 104552539
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
4-(dimethylamino)-N-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]benzamide
CID 18672626
1-[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]phenyl]ethanone
CID 60966894
1-[2-[2-[3-hydroxybutyl(methyl)amino]ethoxy]phenyl]ethanone
CID 115665999
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride (CID 138398535) is 1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride is CC(C)C(=O)c1ccccc1OCCN(C(C)C)C(C)C.Cl.
What is the InChIKey of 1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride?
The InChIKey is XVLYXOOFLZPBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.ClH/c1-13(2)18(20)16-9-7-8-10-17(16)21-12-11-19(14(3)4)15(5)6;/h7-10,13-15H,11-12H2,1-6H3;1H.
What are the key properties of 1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride?
1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 138398535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).