1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol

C18H23NO3 — CID 34894357

IUPAC1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol
SMILESCC[C@H]1CN(Cc2c(O)ccc3ccc(OC)cc23)CCO1
InChIInChI=1S/C18H23NO3/c1-3-14-11-19(8-9-22-14)12-17-16-10-15(21-2)6-4-13(16)5-7-18(17)20/h4-7,10,14,20H,3,8-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyCNHGDQLCMUVKHI-AWEZNQCLSA-N
MW301.39 g/mol
LogP3.16
Rot. Bonds4

About 1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol

1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol (PubChem CID 34894357) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol.

Molecular Properties

Compound Name1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol
PubChem CID34894357
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol
SMILESCC[C@H]1CN(Cc2c(O)ccc3ccc(OC)cc23)CCO1
InChIInChI=1S/C18H23NO3/c1-3-14-11-19(8-9-22-14)12-17-16-10-15(21-2)6-4-13(16)5-7-18(17)20/h4-7,10,14,20H,3,8-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyCNHGDQLCMUVKHI-AWEZNQCLSA-N
XLogP3.16
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.16
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

2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 115413796
7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2672032
7-methoxy-1-[(4-phenylpiperazin-1-yl)methyl]naphthalen-2-ol
CID 2672003
1-[4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 75412809
methyl (2R)-4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]thiomorpholine-2-carboxylate
CID 9233693
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol
CID 26031863
7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol
CID 95150098
(2R)-2-ethyl-4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 95550186
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
(2-ethylmorpholin-4-yl)-(6-methoxyquinolin-2-yl)methanone
CID 146085525

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol?
The IUPAC name of 1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol (CID 34894357) is 1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol.
What is the SMILES notation for 1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol?
The canonical SMILES for 1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol is CC[C@H]1CN(Cc2c(O)ccc3ccc(OC)cc23)CCO1.
What is the InChIKey of 1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol?
The InChIKey is CNHGDQLCMUVKHI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-14-11-19(8-9-22-14)12-17-16-10-15(21-2)6-4-13(16)5-7-18(17)20/h4-7,10,14,20H,3,8-9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol?
1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol has a molecular weight of 301.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol is sourced from PubChem (CID 34894357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).