2-acridin-1-yl-1-aminohexan-2-ol

C19H22N2O — CID 22142034

IUPAC2-acridin-1-yl-1-aminohexan-2-ol
SMILESCCCCC(O)(CN)c1cccc2nc3ccccc3cc12
InChIInChI=1S/C19H22N2O/c1-2-3-11-19(22,13-20)16-8-6-10-18-15(16)12-14-7-4-5-9-17(14)21-18/h4-10,12,22H,2-3,11,13,20H2,1H3
InChIKeyYOGFPQGAMXWAQJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.72
Rot. Bonds5

About 2-acridin-1-yl-1-aminohexan-2-ol

2-acridin-1-yl-1-aminohexan-2-ol (PubChem CID 22142034) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-acridin-1-yl-1-aminohexan-2-ol.

Molecular Properties

Compound Name2-acridin-1-yl-1-aminohexan-2-ol
PubChem CID22142034
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-acridin-1-yl-1-aminohexan-2-ol
SMILESCCCCC(O)(CN)c1cccc2nc3ccccc3cc12
InChIInChI=1S/C19H22N2O/c1-2-3-11-19(22,13-20)16-8-6-10-18-15(16)12-14-7-4-5-9-17(14)21-18/h4-10,12,22H,2-3,11,13,20H2,1H3
InChIKeyYOGFPQGAMXWAQJ-UHFFFAOYSA-N
XLogP3.72
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-methylphenyl)methyl)amino)-
CID 3025613
1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-2-(propylamino)ethanol
CID 432290
1-Phenyl-1-(2-quinolinyl)ethanol
CID 273212
Phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol
CID 18511481
3-(9-Acridinylamino)-5-hydroxymethylaniline
CID 380482
[3-Amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol
CID 10520399
[3-(Acridin-9-ylamino)phenyl]methanol
CID 16092339
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-(propan-2-ylamino)ethanol
CID 46232358
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-(butylamino)ethanol
CID 46232872
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-(2-phenylethylamino)ethanol
CID 46233016
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-(cyclohexylamino)ethanol
CID 49838067
Quinacainol
CID 55464

Frequently Asked Questions

What is the IUPAC name of 2-acridin-1-yl-1-aminohexan-2-ol?
The IUPAC name of 2-acridin-1-yl-1-aminohexan-2-ol (CID 22142034) is 2-acridin-1-yl-1-aminohexan-2-ol.
What is the SMILES notation for 2-acridin-1-yl-1-aminohexan-2-ol?
The canonical SMILES for 2-acridin-1-yl-1-aminohexan-2-ol is CCCCC(O)(CN)c1cccc2nc3ccccc3cc12.
What is the InChIKey of 2-acridin-1-yl-1-aminohexan-2-ol?
The InChIKey is YOGFPQGAMXWAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-3-11-19(22,13-20)16-8-6-10-18-15(16)12-14-7-4-5-9-17(14)21-18/h4-10,12,22H,2-3,11,13,20H2,1H3.
What are the key properties of 2-acridin-1-yl-1-aminohexan-2-ol?
2-acridin-1-yl-1-aminohexan-2-ol has a molecular weight of 294.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acridin-1-yl-1-aminohexan-2-ol is sourced from PubChem (CID 22142034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).