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

C19H20ClNO2 — CID 56989680

IUPAC1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol
SMILESCC(CO)C(O)NCc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C19H20ClNO2/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
InChIKeyUUJSNDFZOJMLLH-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.68
Rot. Bonds5

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

1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol (PubChem CID 56989680) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol
PubChem CID56989680
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol
SMILESCC(CO)C(O)NCc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C19H20ClNO2/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
InChIKeyUUJSNDFZOJMLLH-UHFFFAOYSA-N
XLogP3.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.68
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'}

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Related Compounds

1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride
CID 88618720
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
CID 118513324
N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride
CID 118513323
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?
The IUPAC name of 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol (CID 56989680) is 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol?
The canonical SMILES for 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol is CC(CO)C(O)NCc1c2ccccc2c(Cl)c2ccccc12.
What is the InChIKey of 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol?
The InChIKey is UUJSNDFZOJMLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/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.
What are the key properties of 1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol?
1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol has a molecular weight of 329.83 g/mol, XLogP of 3.68, 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 is sourced from PubChem (CID 56989680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).