N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine

C23H29NO2 — CID 68633152

IUPACN-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine
SMILESCN(Cc1ccccc1)CC1(c2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C23H29NO2/c1-24(18-20-8-4-2-5-9-20)19-22(21-10-6-3-7-11-21)12-14-23(15-13-22)25-16-17-26-23/h2-11H,12-19H2,1H3
InChIKeyORTWPEDENFFAER-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.37
Rot. Bonds5

About N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine

N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine (PubChem CID 68633152) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine
PubChem CID68633152
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine
SMILESCN(Cc1ccccc1)CC1(c2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C23H29NO2/c1-24(18-20-8-4-2-5-9-20)19-22(21-10-6-3-7-11-21)12-14-23(15-13-22)25-16-17-26-23/h2-11H,12-19H2,1H3
InChIKeyORTWPEDENFFAER-UHFFFAOYSA-N
XLogP4.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine (CID 68633152) is N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine is CN(Cc1ccccc1)CC1(c2ccccc2)CCC2(CC1)OCCO2.
What is the InChIKey of N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine?
The InChIKey is ORTWPEDENFFAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-24(18-20-8-4-2-5-9-20)19-22(21-10-6-3-7-11-21)12-14-23(15-13-22)25-16-17-26-23/h2-11H,12-19H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine?
N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine has a molecular weight of 351.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]methanamine is sourced from PubChem (CID 68633152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).