2-hydroxy-3-(pentylamino)benzaldehyde

C12H17NO2 — CID 88730085

IUPAC2-hydroxy-3-(pentylamino)benzaldehyde
SMILESCCCCCNc1cccc(C=O)c1O
InChIInChI=1S/C12H17NO2/c1-2-3-4-8-13-11-7-5-6-10(9-14)12(11)15/h5-7,9,13,15H,2-4,8H2,1H3
InChIKeyHXCHBHAMWRQGGJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.81
Rot. Bonds6

About 2-hydroxy-3-(pentylamino)benzaldehyde

2-hydroxy-3-(pentylamino)benzaldehyde (PubChem CID 88730085) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-hydroxy-3-(pentylamino)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-(pentylamino)benzaldehyde
PubChem CID88730085
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-hydroxy-3-(pentylamino)benzaldehyde
SMILESCCCCCNc1cccc(C=O)c1O
InChIInChI=1S/C12H17NO2/c1-2-3-4-8-13-11-7-5-6-10(9-14)12(11)15/h5-7,9,13,15H,2-4,8H2,1H3
InChIKeyHXCHBHAMWRQGGJ-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-3-(pentylamino)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(butylamino)butylamino]benzaldehyde
CID 56992730
2-hydroxy-3-(pentylamino)benzamide
CID 67175041
CID 173140007
CID 173140007
2-(hexadecylamino)phenol
CID 154256819
2-(octadecylamino)-6-phenylphenol
CID 138395030
2,3-bis(octylamino)phenol
CID 67224440
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
5-(dodecylamino)naphthalen-1-ol
CID 11438841
2-decyl-3-hydroxybenzaldehyde
CID 141168439
2-(butylamino)-4-methylbenzaldehyde
CID 154316528
3-(3-formyl-2-hydroxy-6-octylphenyl)-2-hydroxy-4-octylbenzaldehyde
CID 101174824
3-(ethyliminomethyl)-N-heptyl-2-methylaniline
CID 126690399

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(pentylamino)benzaldehyde?
The IUPAC name of 2-hydroxy-3-(pentylamino)benzaldehyde (CID 88730085) is 2-hydroxy-3-(pentylamino)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-(pentylamino)benzaldehyde?
The canonical SMILES for 2-hydroxy-3-(pentylamino)benzaldehyde is CCCCCNc1cccc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-(pentylamino)benzaldehyde?
The InChIKey is HXCHBHAMWRQGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-3-4-8-13-11-7-5-6-10(9-14)12(11)15/h5-7,9,13,15H,2-4,8H2,1H3.
What are the key properties of 2-hydroxy-3-(pentylamino)benzaldehyde?
2-hydroxy-3-(pentylamino)benzaldehyde has a molecular weight of 207.27 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(pentylamino)benzaldehyde is sourced from PubChem (CID 88730085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).