2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde

C11H15NO2 — CID 22860787

IUPAC2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde
SMILESC[C@@H](O)CN(CC=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-10(14)9-12(7-8-13)11-5-3-2-4-6-11/h2-6,8,10,14H,7,9H2,1H3/t10-/m1/s1
InChIKeyHBVPOMWYDXOSOW-SNVBAGLBSA-N
MW193.25 g/mol
LogP1.07
Rot. Bonds5

About 2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde

2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde (PubChem CID 22860787) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde.

Molecular Properties

Compound Name2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde
PubChem CID22860787
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde
SMILESC[C@@H](O)CN(CC=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-10(14)9-12(7-8-13)11-5-3-2-4-6-11/h2-6,8,10,14H,7,9H2,1H3/t10-/m1/s1
InChIKeyHBVPOMWYDXOSOW-SNVBAGLBSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.07
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

(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
1-[N-(3-aminopropyl)anilino]propan-2-ol
CID 65277240
1-[4-anilino-N-(2-hydroxypropyl)anilino]propan-2-ol
CID 71372983
N-(cyclopropylmethyl)-2-(N-[(2S)-2-hydroxypropyl]anilino)acetamide
CID 52910290
1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol
CID 15026090
N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106356
1-[N-[(4-nitrophenyl)methyl]anilino]propan-2-ol
CID 51132768
(2R)-2-amino-N-(2-oxoethyl)-N-phenylpropanamide
CID 54216940
N,N-bis(2-methylpropyl)aniline
CID 5169898
(2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol
CID 97317746
(2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol
CID 124508201
2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde
CID 59664797

Frequently Asked Questions

What is the IUPAC name of 2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde?
The IUPAC name of 2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde (CID 22860787) is 2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde.
What is the SMILES notation for 2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde?
The canonical SMILES for 2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde is C[C@@H](O)CN(CC=O)c1ccccc1.
What is the InChIKey of 2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde?
The InChIKey is HBVPOMWYDXOSOW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2/c1-10(14)9-12(7-8-13)11-5-3-2-4-6-11/h2-6,8,10,14H,7,9H2,1H3/t10-/m1/s1.
What are the key properties of 2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde?
2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde is sourced from PubChem (CID 22860787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).