4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine

C14H19NO — CID 129392431

IUPAC4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine
SMILESC[C@H]1c2ccccc2C[C@@H]1N1CCOCC1
InChIInChI=1S/C14H19NO/c1-11-13-5-3-2-4-12(13)10-14(11)15-6-8-16-9-7-15/h2-5,11,14H,6-10H2,1H3/t11-,14-/m0/s1
InChIKeyKPJZLIJJCUHHGC-FZMZJTMJSA-N
MW217.31 g/mol
LogP2.05
Rot. Bonds1

About 4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine

4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine (PubChem CID 129392431) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine.

Molecular Properties

Compound Name4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine
PubChem CID129392431
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine
SMILESC[C@H]1c2ccccc2C[C@@H]1N1CCOCC1
InChIInChI=1S/C14H19NO/c1-11-13-5-3-2-4-12(13)10-14(11)15-6-8-16-9-7-15/h2-5,11,14H,6-10H2,1H3/t11-,14-/m0/s1
InChIKeyKPJZLIJJCUHHGC-FZMZJTMJSA-N
XLogP2.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol
CID 58393444
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 67828813
2-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 43592735
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole
CID 11435240
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 75427921
2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 62930073
(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 122155821
(1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone
CID 143426982
4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-ol
CID 167940643
N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 84600448

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine?
The IUPAC name of 4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine (CID 129392431) is 4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine.
What is the SMILES notation for 4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine?
The canonical SMILES for 4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine is C[C@H]1c2ccccc2C[C@@H]1N1CCOCC1.
What is the InChIKey of 4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine?
The InChIKey is KPJZLIJJCUHHGC-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-13-5-3-2-4-12(13)10-14(11)15-6-8-16-9-7-15/h2-5,11,14H,6-10H2,1H3/t11-,14-/m0/s1.
What are the key properties of 4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine?
4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine has a molecular weight of 217.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine is sourced from PubChem (CID 129392431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).