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

C18H30ClNO2 — CID 138397997

IUPAC2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride
SMILESCCC(OCCN(C(C)C)C(C)C)C(=O)c1ccccc1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-6-17(18(20)16-10-8-7-9-11-16)21-13-12-19(14(2)3)15(4)5;/h7-11,14-15,17H,6,12-13H2,1-5H3;1H
InChIKeyPDTNJULAMCAUDW-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.21
Rot. Bonds9

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

2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride (PubChem CID 138397997) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride
PubChem CID138397997
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Name2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride
SMILESCCC(OCCN(C(C)C)C(C)C)C(=O)c1ccccc1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-6-17(18(20)16-10-8-7-9-11-16)21-13-12-19(14(2)3)15(4)5;/h7-11,14-15,17H,6,12-13H2,1-5H3;1H
InChIKeyPDTNJULAMCAUDW-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-(Di(propan-2-yl)amino)ethoxy)-1-phenylbutan-1-one--hydrogen chloride (1/1)
CID 26733
Mobecarb
CID 27362
Butyrophenone, 3-amino-2-(2-(diisopropylamino)ethoxy)-, dihydrochloride
CID 52349
5-(2-oxo-2-phenylethoxy)-2-(piperidin-1-ylmethyl)-4H-pyran-4-one
CID 51054662
2-(azepan-1-ylmethyl)-5-(2-oxo-2-phenylethoxy)-4H-pyran-4-one
CID 71709571
3-Amino-2-{2-[di(propan-2-yl)amino]ethoxy}-1-phenylbutan-1-one--hydrogen chloride (1/2)
CID 131884300
phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone
CID 71354584
2-Chloro-3-(2-diethylaminoethoxy)-1,4-naphthoquinone
CID 129707515
2-(2-Methoxy-3-propylamino-propoxy)-3-phenyl-propiophenon hydrochloride
CID 19010543
4-n-Decyloxyacetophenon
CID 53858894
(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate
CID 58710946
Benzoyloxazoline
CID 129873934

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride (CID 138397997) is 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride is CCC(OCCN(C(C)C)C(C)C)C(=O)c1ccccc1.Cl.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride?
The InChIKey is PDTNJULAMCAUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.ClH/c1-6-17(18(20)16-10-8-7-9-11-16)21-13-12-19(14(2)3)15(4)5;/h7-11,14-15,17H,6,12-13H2,1-5H3;1H.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride?
2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one;hydrochloride is sourced from PubChem (CID 138397997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).