1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol

C19H21NO2 — CID 111425237

IUPAC1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H21NO2/c1-22-13-16(21)11-20-12-19-17-8-4-2-6-14(17)10-15-7-3-5-9-18(15)19/h2-10,16,20-21H,11-13H2,1H3
InChIKeyVWAURDQJQRVTGD-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.09
Rot. Bonds6

About 1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol

1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol (PubChem CID 111425237) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol
PubChem CID111425237
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H21NO2/c1-22-13-16(21)11-20-12-19-17-8-4-2-6-14(17)10-15-7-3-5-9-18(15)19/h2-10,16,20-21H,11-13H2,1H3
InChIKeyVWAURDQJQRVTGD-UHFFFAOYSA-N
XLogP3.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.09
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

N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride
CID 50999583
1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol
CID 78993327
1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol
CID 62368265
N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine
CID 46221872
1,3-di(anthracen-9-yl)propan-2-ol
CID 14980286
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 11843223
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63055930
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115
(2R)-1-[(4-bromo-3-methylphenyl)methylamino]-3-methoxypropan-2-ol
CID 97044790
1-anthracen-9-ylpropan-2-ol
CID 19889136

Frequently Asked Questions

What is the IUPAC name of 1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol (CID 111425237) is 1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol is COCC(O)CNCc1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol?
The InChIKey is VWAURDQJQRVTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-13-16(21)11-20-12-19-17-8-4-2-6-14(17)10-15-7-3-5-9-18(15)19/h2-10,16,20-21H,11-13H2,1H3.
What are the key properties of 1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol?
1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol has a molecular weight of 295.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol is sourced from PubChem (CID 111425237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).