4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine

C14H18ClNO — CID 59218727

IUPAC4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine
SMILESC[C@H]1CCc2cc(N3CCOCC3)c(Cl)cc21
InChIInChI=1S/C14H18ClNO/c1-10-2-3-11-8-14(13(15)9-12(10)11)16-4-6-17-7-5-16/h8-10H,2-7H2,1H3/t10-/m0/s1
InChIKeyRWZQSSAUNBOSGR-JTQLQIEISA-N
MW251.76 g/mol
LogP3.23
Rot. Bonds1

About 4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine

4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine (PubChem CID 59218727) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine.

Molecular Properties

Compound Name4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine
PubChem CID59218727
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine
SMILESC[C@H]1CCc2cc(N3CCOCC3)c(Cl)cc21
InChIInChI=1S/C14H18ClNO/c1-10-2-3-11-8-14(13(15)9-12(10)11)16-4-6-17-7-5-16/h8-10H,2-7H2,1H3/t10-/m0/s1
InChIKeyRWZQSSAUNBOSGR-JTQLQIEISA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine?
The IUPAC name of 4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine (CID 59218727) is 4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine.
What is the SMILES notation for 4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine?
The canonical SMILES for 4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine is C[C@H]1CCc2cc(N3CCOCC3)c(Cl)cc21.
What is the InChIKey of 4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine?
The InChIKey is RWZQSSAUNBOSGR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10-2-3-11-8-14(13(15)9-12(10)11)16-4-6-17-7-5-16/h8-10H,2-7H2,1H3/t10-/m0/s1.
What are the key properties of 4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine?
4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine has a molecular weight of 251.76 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine is sourced from PubChem (CID 59218727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).