2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride

C15H27Cl2N3O2 — CID 88762960

IUPAC2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride
SMILESCCN(CC)CC(O)Cc1ccccc1CC(N)=NO.Cl.Cl
InChIInChI=1S/C15H25N3O2.2ClH/c1-3-18(4-2)11-14(19)9-12-7-5-6-8-13(12)10-15(16)17-20;;/h5-8,14,19-20H,3-4,9-11H2,1-2H3,(H2,16,17);2*1H
InChIKeyILHYCMUMZXXCHY-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.06
Rot. Bonds8

About 2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride

2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride (PubChem CID 88762960) has the molecular formula C15H27Cl2N3O2 and a molecular weight of 352.31 g/mol. Its IUPAC name is 2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride
PubChem CID88762960
Molecular FormulaC15H27Cl2N3O2
Molecular Weight352.31 g/mol
Exact Mass351.15
IUPAC Name2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride
SMILESCCN(CC)CC(O)Cc1ccccc1CC(N)=NO.Cl.Cl
InChIInChI=1S/C15H25N3O2.2ClH/c1-3-18(4-2)11-14(19)9-12-7-5-6-8-13(12)10-15(16)17-20;;/h5-8,14,19-20H,3-4,9-11H2,1-2H3,(H2,16,17);2*1H
InChIKeyILHYCMUMZXXCHY-UHFFFAOYSA-N
XLogP2.06
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(2-methylphenyl)ethanimidamide
CID 6001694
N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide
CID 83878809
1-(diethylamino)-3-thiophen-2-ylpropan-2-ol
CID 121219027
2-[2-(diethylaminomethyl)phenyl]ethanethioamide
CID 82135813
1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol
CID 65278136
3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 43175067
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949093
2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
CID 164703528
N'-hydroxy-2-phenylethanimidamide
CID 6074309
N'-hydroxy-3-[methyl(pentan-3-yl)amino]-3-phenylpropanimidamide
CID 76949064
4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol
CID 79086780

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride?
The IUPAC name of 2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride (CID 88762960) is 2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride.
What is the SMILES notation for 2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride?
The canonical SMILES for 2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride is CCN(CC)CC(O)Cc1ccccc1CC(N)=NO.Cl.Cl.
What is the InChIKey of 2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride?
The InChIKey is ILHYCMUMZXXCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.2ClH/c1-3-18(4-2)11-14(19)9-12-7-5-6-8-13(12)10-15(16)17-20;;/h5-8,14,19-20H,3-4,9-11H2,1-2H3,(H2,16,17);2*1H.
What are the key properties of 2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride?
2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride has a molecular weight of 352.31 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide;dihydrochloride is sourced from PubChem (CID 88762960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).