1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride

C19H21Cl2NO2 — CID 88618720

IUPAC1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride
SMILESCC(CO)C(O)NCc1c2ccccc2c(Cl)c2ccccc12.Cl
InChIInChI=1S/C19H20ClNO2.ClH/c1-12(11-22)19(23)21-10-17-13-6-2-4-8-15(13)18(20)16-9-5-3-7-14(16)17;/h2-9,12,19,21-23H,10-11H2,1H3;1H
InChIKeyQDDHLBWTWUTWGA-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.10
Rot. Bonds5

About 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride

1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride (PubChem CID 88618720) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride
PubChem CID88618720
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Name1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride
SMILESCC(CO)C(O)NCc1c2ccccc2c(Cl)c2ccccc12.Cl
InChIInChI=1S/C19H20ClNO2.ClH/c1-12(11-22)19(23)21-10-17-13-6-2-4-8-15(13)18(20)16-9-5-3-7-14(16)17;/h2-9,12,19,21-23H,10-11H2,1H3;1H
InChIKeyQDDHLBWTWUTWGA-UHFFFAOYSA-N
XLogP4.10
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride 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

1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol
CID 56989680
1-[(4,5-dichloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride
CID 88631653
1-[(2-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride
CID 88618710
N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride
CID 118513323
N-[(10-chloroanthracen-9-yl)methyl]ethanamine
CID 118513324
N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride
CID 170891762
9-chloro-10-ethylanthracene
CID 23018360
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
CID 115644591
2-[[2-hydroxy-3-(hydroxymethyl)phenyl]methylamino]-3-methylbutane-1,4-diol
CID 90137576
(2,3,4-trichloronaphthalen-1-yl)methanol
CID 178076089
(1S)-2-[(10-chloroanthracen-9-yl)methylamino]-1-(1-methylpyrazol-4-yl)ethanol
CID 99811946
2-[(12-chlorotetracen-5-yl)methylamino]-2-methylpropane-1,3-diol;methanesulfonic acid
CID 14371431

Frequently Asked Questions

What is the IUPAC name of 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride?
The IUPAC name of 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride (CID 88618720) is 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride.
What is the SMILES notation for 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride?
The canonical SMILES for 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride is CC(CO)C(O)NCc1c2ccccc2c(Cl)c2ccccc12.Cl.
What is the InChIKey of 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride?
The InChIKey is QDDHLBWTWUTWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2.ClH/c1-12(11-22)19(23)21-10-17-13-6-2-4-8-15(13)18(20)16-9-5-3-7-14(16)17;/h2-9,12,19,21-23H,10-11H2,1H3;1H.
What are the key properties of 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride?
1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride has a molecular weight of 366.29 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride is sourced from PubChem (CID 88618720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).