2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride

C18H22Cl2N2O2 — CID 14555904

IUPAC2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride
SMILESCC(CO)(CO)NCc1c2ccccc2nc2ccccc12.Cl.Cl
InChIInChI=1S/C18H20N2O2.2ClH/c1-18(11-21,12-22)19-10-15-13-6-2-4-8-16(13)20-17-9-5-3-7-14(15)17;;/h2-9,19,21-22H,10-12H2,1H3;2*1H
InChIKeyWKDPNMRSVFUMDI-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.06
Rot. Bonds5

About 2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride

2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride (PubChem CID 14555904) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is 2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride.

Molecular Properties

Compound Name2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride
PubChem CID14555904
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride
SMILESCC(CO)(CO)NCc1c2ccccc2nc2ccccc12.Cl.Cl
InChIInChI=1S/C18H20N2O2.2ClH/c1-18(11-21,12-22)19-10-15-13-6-2-4-8-16(13)20-17-9-5-3-7-14(15)17;;/h2-9,19,21-22H,10-12H2,1H3;2*1H
InChIKeyWKDPNMRSVFUMDI-UHFFFAOYSA-N
XLogP3.06
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride?
The IUPAC name of 2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride (CID 14555904) is 2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride.
What is the SMILES notation for 2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride?
The canonical SMILES for 2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride is CC(CO)(CO)NCc1c2ccccc2nc2ccccc12.Cl.Cl.
What is the InChIKey of 2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride?
The InChIKey is WKDPNMRSVFUMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.2ClH/c1-18(11-21,12-22)19-10-15-13-6-2-4-8-16(13)20-17-9-5-3-7-14(15)17;;/h2-9,19,21-22H,10-12H2,1H3;2*1H.
What are the key properties of 2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride?
2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride has a molecular weight of 369.29 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acridin-9-ylmethylamino)-2-methylpropane-1,3-diol;dihydrochloride is sourced from PubChem (CID 14555904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).