2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine

C17H23NO2 — CID 12917370

IUPAC2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(COc2cccc3c2CC=C3)C1
InChIInChI=1S/C17H23NO2/c1-13(2)18-9-10-19-15(11-18)12-20-17-8-4-6-14-5-3-7-16(14)17/h3-6,8,13,15H,7,9-12H2,1-2H3
InChIKeyBTANJTPOVYQNRW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.74
Rot. Bonds4

About 2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine

2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine (PubChem CID 12917370) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine
PubChem CID12917370
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(COc2cccc3c2CC=C3)C1
InChIInChI=1S/C17H23NO2/c1-13(2)18-9-10-19-15(11-18)12-20-17-8-4-6-14-5-3-7-16(14)17/h3-6,8,13,15H,7,9-12H2,1-2H3
InChIKeyBTANJTPOVYQNRW-UHFFFAOYSA-N
XLogP2.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 12800263
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
4-propan-2-yl-2-[(2-propan-2-ylphenoxy)methyl]morpholine
CID 64763487
2-[(3-methyl-1H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 12800264
N-[1-[2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 77043440
3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107673545
[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535556
(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 78996510
[6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]-2-pyridinyl]methanamine
CID 79162914
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107014520
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273

Frequently Asked Questions

What is the IUPAC name of 2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine (CID 12917370) is 2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine is CC(C)N1CCOC(COc2cccc3c2CC=C3)C1.
What is the InChIKey of 2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine?
The InChIKey is BTANJTPOVYQNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(2)18-9-10-19-15(11-18)12-20-17-8-4-6-14-5-3-7-16(14)17/h3-6,8,13,15H,7,9-12H2,1-2H3.
What are the key properties of 2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine?
2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine has a molecular weight of 273.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 12917370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).