2-(dimethylamino)-3-(4-hydroxyphenyl)propanal

C11H15NO2 — CID 177035861

IUPAC2-(dimethylamino)-3-(4-hydroxyphenyl)propanal
SMILESCN(C)C(C=O)Cc1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-12(2)10(8-13)7-9-3-5-11(14)6-4-9/h3-6,8,10,14H,7H2,1-2H3
InChIKeyQQEBSXJXWSHZLP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.06
Rot. Bonds4

About 2-(dimethylamino)-3-(4-hydroxyphenyl)propanal

2-(dimethylamino)-3-(4-hydroxyphenyl)propanal (PubChem CID 177035861) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(4-hydroxyphenyl)propanal.

Molecular Properties

Compound Name2-(dimethylamino)-3-(4-hydroxyphenyl)propanal
PubChem CID177035861
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(dimethylamino)-3-(4-hydroxyphenyl)propanal
SMILESCN(C)C(C=O)Cc1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-12(2)10(8-13)7-9-3-5-11(14)6-4-9/h3-6,8,10,14H,7H2,1-2H3
InChIKeyQQEBSXJXWSHZLP-UHFFFAOYSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(dihydroxyamino)-3-(4-hydroxyphenyl)propanal
CID 22823514
(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide
CID 70366423
methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 140983317
potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide
CID 159455971
3-(4-methylphenyl)-2-[methyl(prop-2-ynyl)amino]propanal
CID 58052644
4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol
CID 22946570
4-[(2S)-2-(dimethylamino)-3-methoxybut-3-enyl]phenol
CID 59873664
2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide
CID 80505706
2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one
CID 70878581
N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61043511
3-hydroxy-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]butanamide
CID 139404725
(E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-2-methyl-3-phenylprop-2-enamide
CID 162745291

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(4-hydroxyphenyl)propanal?
The IUPAC name of 2-(dimethylamino)-3-(4-hydroxyphenyl)propanal (CID 177035861) is 2-(dimethylamino)-3-(4-hydroxyphenyl)propanal.
What is the SMILES notation for 2-(dimethylamino)-3-(4-hydroxyphenyl)propanal?
The canonical SMILES for 2-(dimethylamino)-3-(4-hydroxyphenyl)propanal is CN(C)C(C=O)Cc1ccc(O)cc1.
What is the InChIKey of 2-(dimethylamino)-3-(4-hydroxyphenyl)propanal?
The InChIKey is QQEBSXJXWSHZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12(2)10(8-13)7-9-3-5-11(14)6-4-9/h3-6,8,10,14H,7H2,1-2H3.
What are the key properties of 2-(dimethylamino)-3-(4-hydroxyphenyl)propanal?
2-(dimethylamino)-3-(4-hydroxyphenyl)propanal has a molecular weight of 193.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(4-hydroxyphenyl)propanal is sourced from PubChem (CID 177035861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).