[3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol

C17H24N4O — CID 155167989

IUPAC[3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol
SMILESNc1ccccc1NCCCCNc1c(N)cccc1CO
InChIInChI=1S/C17H24N4O/c18-14-7-1-2-9-16(14)20-10-3-4-11-21-17-13(12-22)6-5-8-15(17)19/h1-2,5-9,20-22H,3-4,10-12,18-19H2
InChIKeyIGDOQTAKPCZCQA-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.65
Rot. Bonds8

About [3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol

[3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol (PubChem CID 155167989) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is [3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol
PubChem CID155167989
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name[3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol
SMILESNc1ccccc1NCCCCNc1c(N)cccc1CO
InChIInChI=1S/C17H24N4O/c18-14-7-1-2-9-16(14)20-10-3-4-11-21-17-13(12-22)6-5-8-15(17)19/h1-2,5-9,20-22H,3-4,10-12,18-19H2
InChIKeyIGDOQTAKPCZCQA-UHFFFAOYSA-N
XLogP2.65
TPSA96.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol?
The IUPAC name of [3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol (CID 155167989) is [3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol.
What is the SMILES notation for [3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol?
The canonical SMILES for [3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol is Nc1ccccc1NCCCCNc1c(N)cccc1CO.
What is the InChIKey of [3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol?
The InChIKey is IGDOQTAKPCZCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c18-14-7-1-2-9-16(14)20-10-3-4-11-21-17-13(12-22)6-5-8-15(17)19/h1-2,5-9,20-22H,3-4,10-12,18-19H2.
What are the key properties of [3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol?
[3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol has a molecular weight of 300.41 g/mol, XLogP of 2.65, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol is sourced from PubChem (CID 155167989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).