1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol

C21H21NO2 — CID 747708

IUPAC1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H21NO2/c23-19-11-10-16-6-4-5-9-18(16)20(19)21(17-7-2-1-3-8-17)22-12-14-24-15-13-22/h1-11,21,23H,12-15H2/t21-/m0/s1
InChIKeyWESLOKYESXZJSF-NRFANRHFSA-N
MW319.40 g/mol
LogP3.97
Rot. Bonds3

About 1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol

1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol (PubChem CID 747708) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
PubChem CID747708
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H21NO2/c23-19-11-10-16-6-4-5-9-18(16)20(19)21(17-7-2-1-3-8-17)22-12-14-24-15-13-22/h1-11,21,23H,12-15H2/t21-/m0/s1
InChIKeyWESLOKYESXZJSF-NRFANRHFSA-N
XLogP3.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 139082928
1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 18775206
2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
CID 36690968
1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol
CID 45378573
4-[(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethyl]benzonitrile
CID 91273590
7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one
CID 11450983
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 135025274
1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol
CID 139192853
1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol
CID 135025792
1-[(S)-[(2R,5S)-2-ethenyl-5-prop-2-enylpyrrolidin-1-yl]-phenylmethyl]naphthalen-2-ol
CID 53242721
2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol
CID 141365807

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol (CID 747708) is 1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1[C@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol?
The InChIKey is WESLOKYESXZJSF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21NO2/c23-19-11-10-16-6-4-5-9-18(16)20(19)21(17-7-2-1-3-8-17)22-12-14-24-15-13-22/h1-11,21,23H,12-15H2/t21-/m0/s1.
What are the key properties of 1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol?
1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol has a molecular weight of 319.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol is sourced from PubChem (CID 747708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).