2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride

C11H16ClNO2 — CID 87998097

IUPAC2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride
SMILESCC(C)NC(C=O)c1ccc(O)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-8(2)12-11(7-13)9-3-5-10(14)6-4-9;/h3-8,11-12,14H,1-2H3;1H
InChIKeyWKTGJRWYUPBEDE-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.05
Rot. Bonds4

About 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride

2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride (PubChem CID 87998097) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride
PubChem CID87998097
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride
SMILESCC(C)NC(C=O)c1ccc(O)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-8(2)12-11(7-13)9-3-5-10(14)6-4-9;/h3-8,11-12,14H,1-2H3;1H
InChIKeyWKTGJRWYUPBEDE-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride
CID 87998810
N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide
CID 57222186
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
[2-hexanoyloxy-4-[2-oxo-1-(propan-2-ylamino)ethyl]phenyl] hexanoate
CID 88809282
4-hydroxy-N-(2-oxo-1-phenylethyl)benzamide
CID 19816469
cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol
CID 144603163
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
methane;4-propan-2-ylphenol
CID 159328733
acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine
CID 144603069
4-(1-methylphosphanylethyl)phenol
CID 135192589
4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131345
2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde
CID 143479390

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride?
The IUPAC name of 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride (CID 87998097) is 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride is CC(C)NC(C=O)c1ccc(O)cc1.Cl.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride?
The InChIKey is WKTGJRWYUPBEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-8(2)12-11(7-13)9-3-5-10(14)6-4-9;/h3-8,11-12,14H,1-2H3;1H.
What are the key properties of 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride?
2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride is sourced from PubChem (CID 87998097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).