6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]

C18H27NO2 — CID 114497491

IUPAC6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]
SMILESCOc1ccc2c(c1)CC1(CC2)CNCC(C)(C(C)C)O1
InChIInChI=1S/C18H27NO2/c1-13(2)17(3)11-19-12-18(21-17)8-7-14-5-6-16(20-4)9-15(14)10-18/h5-6,9,13,19H,7-8,10-12H2,1-4H3
InChIKeyDXFFYDBCGGMBQV-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.96
Rot. Bonds2

About 6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]

6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine] (PubChem CID 114497491) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine].

Molecular Properties

Compound Name6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]
PubChem CID114497491
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]
SMILESCOc1ccc2c(c1)CC1(CC2)CNCC(C)(C(C)C)O1
InChIInChI=1S/C18H27NO2/c1-13(2)17(3)11-19-12-18(21-17)8-7-14-5-6-16(20-4)9-15(14)10-18/h5-6,9,13,19H,7-8,10-12H2,1-4H3
InChIKeyDXFFYDBCGGMBQV-UHFFFAOYSA-N
XLogP2.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]?
The IUPAC name of 6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine] (CID 114497491) is 6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine].
What is the SMILES notation for 6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]?
The canonical SMILES for 6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine] is COc1ccc2c(c1)CC1(CC2)CNCC(C)(C(C)C)O1.
What is the InChIKey of 6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]?
The InChIKey is DXFFYDBCGGMBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)17(3)11-19-12-18(21-17)8-7-14-5-6-16(20-4)9-15(14)10-18/h5-6,9,13,19H,7-8,10-12H2,1-4H3.
What are the key properties of 6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]?
6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine] has a molecular weight of 289.42 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine] is sourced from PubChem (CID 114497491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).