2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde

C11H15NO2 — CID 54099137

IUPAC2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde
SMILESCCCc1c(N)ccc(CC=O)c1O
InChIInChI=1S/C11H15NO2/c1-2-3-9-10(12)5-4-8(6-7-13)11(9)14/h4-5,7,14H,2-3,6,12H2,1H3
InChIKeyMZHRWGMHGVOBBO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.67
Rot. Bonds4

About 2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde

2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde (PubChem CID 54099137) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde
PubChem CID54099137
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde
SMILESCCCc1c(N)ccc(CC=O)c1O
InChIInChI=1S/C11H15NO2/c1-2-3-9-10(12)5-4-8(6-7-13)11(9)14/h4-5,7,14H,2-3,6,12H2,1H3
InChIKeyMZHRWGMHGVOBBO-UHFFFAOYSA-N
XLogP1.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-2,6-dimethylphenol
CID 81477
5-Amino-2,4-dimethylphenol
CID 20324078
4-Amino-2-hydroxybenzaldehyde
CID 22256149
(+)-a-Amino-3-hydroxy-benzeneacetic acid
CID 54427952
3-Amino-2-methyl-6-(trifluoromethyl)phenol
CID 131478752
1-[4-Amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone
CID 170996184
1-[6-Amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone
CID 170996393
1-[4-Amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone
CID 171027158
1-[6-Amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone
CID 171027226
3-(2-Amino-6-hydroxyphenyl)benzaldehyde
CID 12116346
4-(2-Amino-6-hydroxyphenyl)benzaldehyde
CID 12116350
1-(4-Amino-2-hydroxy-3-propyl-phenyl)-ethanone
CID 13463080

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde?
The IUPAC name of 2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde (CID 54099137) is 2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde?
The canonical SMILES for 2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde is CCCc1c(N)ccc(CC=O)c1O.
What is the InChIKey of 2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde?
The InChIKey is MZHRWGMHGVOBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-3-9-10(12)5-4-8(6-7-13)11(9)14/h4-5,7,14H,2-3,6,12H2,1H3.
What are the key properties of 2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde?
2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde is sourced from PubChem (CID 54099137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).