1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol

C20H21NO3 — CID 18775206

IUPAC1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol
SMILESCc1ccc(C(c2c(O)ccc3ccccc23)N2CCOCC2)o1
InChIInChI=1S/C20H21NO3/c1-14-6-9-18(24-14)20(21-10-12-23-13-11-21)19-16-5-3-2-4-15(16)7-8-17(19)22/h2-9,20,22H,10-13H2,1H3
InChIKeyMLTXMUYCXQPTNJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.87
Rot. Bonds3

About 1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol

1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol (PubChem CID 18775206) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol
PubChem CID18775206
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol
SMILESCc1ccc(C(c2c(O)ccc3ccccc23)N2CCOCC2)o1
InChIInChI=1S/C20H21NO3/c1-14-6-9-18(24-14)20(21-10-12-23-13-11-21)19-16-5-3-2-4-15(16)7-8-17(19)22/h2-9,20,22H,10-13H2,1H3
InChIKeyMLTXMUYCXQPTNJ-UHFFFAOYSA-N
XLogP3.87
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
CID 747708
1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 139082928
6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 135025274
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 18168885
1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol
CID 135025792
1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol
CID 45378573
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide
CID 26006499
7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one
CID 11450983
1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294389
4-[(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethyl]benzonitrile
CID 91273590
7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol
CID 127028202
1-[(2,3-difluorophenyl)-thiomorpholin-4-ylmethyl]naphthalen-2-ol
CID 102454941

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol (CID 18775206) is 1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol is Cc1ccc(C(c2c(O)ccc3ccccc23)N2CCOCC2)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol?
The InChIKey is MLTXMUYCXQPTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14-6-9-18(24-14)20(21-10-12-23-13-11-21)19-16-5-3-2-4-15(16)7-8-17(19)22/h2-9,20,22H,10-13H2,1H3.
What are the key properties of 1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol?
1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol has a molecular weight of 323.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol is sourced from PubChem (CID 18775206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).