5-(1-aminoethyl)-2-hydroxybenzaldehyde

C9H11NO2 — CID 105432657

IUPAC5-(1-aminoethyl)-2-hydroxybenzaldehyde
SMILESCC(N)c1ccc(O)c(C=O)c1
InChIInChI=1S/C9H11NO2/c1-6(10)7-2-3-9(12)8(4-7)5-11/h2-6,12H,10H2,1H3
InChIKeyKCDPYUDGWMGZJU-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.22
Rot. Bonds2

About 5-(1-aminoethyl)-2-hydroxybenzaldehyde

5-(1-aminoethyl)-2-hydroxybenzaldehyde (PubChem CID 105432657) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 5-(1-aminoethyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(1-aminoethyl)-2-hydroxybenzaldehyde
PubChem CID105432657
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name5-(1-aminoethyl)-2-hydroxybenzaldehyde
SMILESCC(N)c1ccc(O)c(C=O)c1
InChIInChI=1S/C9H11NO2/c1-6(10)7-2-3-9(12)8(4-7)5-11/h2-6,12H,10H2,1H3
InChIKeyKCDPYUDGWMGZJU-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.22
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

5-(1-aminoethyl)-2-methoxybenzaldehyde
CID 105438045
5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde
CID 105477801
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde
CID 20598480
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
5-[(1R)-1-aminoethyl]-2-hydroxybenzamide
CID 55255475
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde
CID 88594631
5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzaldehyde
CID 57367253
2-amino-5-[(1R)-1-aminoethyl]phenol
CID 55297300
4-(1-aminoethyl)-2-(2-hydroxyphenyl)phenol
CID 115037146
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-2-hydroxybenzaldehyde?
The IUPAC name of 5-(1-aminoethyl)-2-hydroxybenzaldehyde (CID 105432657) is 5-(1-aminoethyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(1-aminoethyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(1-aminoethyl)-2-hydroxybenzaldehyde is CC(N)c1ccc(O)c(C=O)c1.
What is the InChIKey of 5-(1-aminoethyl)-2-hydroxybenzaldehyde?
The InChIKey is KCDPYUDGWMGZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6(10)7-2-3-9(12)8(4-7)5-11/h2-6,12H,10H2,1H3.
What are the key properties of 5-(1-aminoethyl)-2-hydroxybenzaldehyde?
5-(1-aminoethyl)-2-hydroxybenzaldehyde has a molecular weight of 165.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 105432657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).