4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde

C10H13NO2 — CID 141157639

IUPAC4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde
SMILESCc1c(C=O)ccc(N)c1CCO
InChIInChI=1S/C10H13NO2/c1-7-8(6-13)2-3-10(11)9(7)4-5-12/h2-3,6,12H,4-5,11H2,1H3
InChIKeyDJSZFNHNPDMPNL-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.92
Rot. Bonds3

About 4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde

4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde (PubChem CID 141157639) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde
PubChem CID141157639
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde
SMILESCc1c(C=O)ccc(N)c1CCO
InChIInChI=1S/C10H13NO2/c1-7-8(6-13)2-3-10(11)9(7)4-5-12/h2-3,6,12H,4-5,11H2,1H3
InChIKeyDJSZFNHNPDMPNL-UHFFFAOYSA-N
XLogP0.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.92
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

4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde
CID 155385012
3-ethyl-4-hydroxy-2-methylbenzaldehyde
CID 88956319
3,6-diamino-2-(2-hydroxyethyl)phenol
CID 150408820
4-amino-2-(3,3-dihydroxypropyl)-3-ethylbenzaldehyde
CID 88612752
3-amino-2-ethylbenzaldehyde
CID 22259616
3-[3,6-diamino-2-(3-sulfopropyl)phenyl]propane-1-sulfonic acid
CID 18324633
ethyl 6-chloro-3-formyl-2-methylbenzoate
CID 171006023
carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol
CID 174948352
4-amino-2,3-bis(4-methylphenyl)benzaldehyde
CID 141187820
3-amino-4-methoxy-2-methylbenzaldehyde
CID 150747577
4-amino-3-(hydroxymethyl)-2-methylbenzoic acid
CID 70595646
4-bromo-2-fluoro-3-methylbenzaldehyde
CID 99769903

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde?
The IUPAC name of 4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde (CID 141157639) is 4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde.
What is the SMILES notation for 4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde?
The canonical SMILES for 4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde is Cc1c(C=O)ccc(N)c1CCO.
What is the InChIKey of 4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde?
The InChIKey is DJSZFNHNPDMPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-8(6-13)2-3-10(11)9(7)4-5-12/h2-3,6,12H,4-5,11H2,1H3.
What are the key properties of 4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde?
4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde has a molecular weight of 179.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde is sourced from PubChem (CID 141157639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).