2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine

C18H25NO2 — CID 12800263

IUPAC2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine
SMILESCC1=CCc2c(OCC3CN(C(C)C)CCO3)cccc21
InChIInChI=1S/C18H25NO2/c1-13(2)19-9-10-20-15(11-19)12-21-18-6-4-5-16-14(3)7-8-17(16)18/h4-7,13,15H,8-12H2,1-3H3
InChIKeyUSJWEKQRLIWATG-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.13
Rot. Bonds4

About 2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine

2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine (PubChem CID 12800263) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine
PubChem CID12800263
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine
SMILESCC1=CCc2c(OCC3CN(C(C)C)CCO3)cccc21
InChIInChI=1S/C18H25NO2/c1-13(2)19-9-10-20-15(11-19)12-21-18-6-4-5-16-14(3)7-8-17(16)18/h4-7,13,15H,8-12H2,1-3H3
InChIKeyUSJWEKQRLIWATG-UHFFFAOYSA-N
XLogP3.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methyl-1H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 12800264
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine
CID 12917370
4-propan-2-yl-2-[(2-propan-2-ylphenoxy)methyl]morpholine
CID 64763487
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107673545
(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 78996510
4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533676
N-[1-[2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 77043440
3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde
CID 115955541
[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535556
[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535557

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine (CID 12800263) is 2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine is CC1=CCc2c(OCC3CN(C(C)C)CCO3)cccc21.
What is the InChIKey of 2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine?
The InChIKey is USJWEKQRLIWATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(2)19-9-10-20-15(11-19)12-21-18-6-4-5-16-14(3)7-8-17(16)18/h4-7,13,15H,8-12H2,1-3H3.
What are the key properties of 2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine?
2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine has a molecular weight of 287.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 12800263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).