2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine

C25H33NO2 — CID 163392057

IUPAC2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine
SMILESCC1CCC(COC2CCC(c3ccccc3)CC2)N1OCc1ccccc1
InChIInChI=1S/C25H33NO2/c1-20-12-15-24(26(20)28-18-21-8-4-2-5-9-21)19-27-25-16-13-23(14-17-25)22-10-6-3-7-11-22/h2-11,20,23-25H,12-19H2,1H3
InChIKeyMYMYDVKRUWCATH-UHFFFAOYSA-N
MW379.54 g/mol
LogP5.71
Rot. Bonds7

About 2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine

2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine (PubChem CID 163392057) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is 2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine.

Molecular Properties

Compound Name2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine
PubChem CID163392057
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine
SMILESCC1CCC(COC2CCC(c3ccccc3)CC2)N1OCc1ccccc1
InChIInChI=1S/C25H33NO2/c1-20-12-15-24(26(20)28-18-21-8-4-2-5-9-21)19-27-25-16-13-23(14-17-25)22-10-6-3-7-11-22/h2-11,20,23-25H,12-19H2,1H3
InChIKeyMYMYDVKRUWCATH-UHFFFAOYSA-N
XLogP5.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
benzyl (3S)-3-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 165003395
1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one
CID 164553345
(1R,3S,5S)-3-[(4-phenylcyclohexyl)oxymethyl]-4-phenylmethoxy-2-azabicyclo[3.2.0]heptane
CID 169024442
[4-(4-ethoxycyclohexyl)cyclohexyl]benzene
CID 148800849
N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 154622442
N-[(2R,3S)-1-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 154681368
ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine
CID 154681369
benzene;cyclopropylbenzene
CID 144638417
(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 172784142
2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
CID 166107543

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine?
The IUPAC name of 2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine (CID 163392057) is 2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine.
What is the SMILES notation for 2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine?
The canonical SMILES for 2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine is CC1CCC(COC2CCC(c3ccccc3)CC2)N1OCc1ccccc1.
What is the InChIKey of 2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine?
The InChIKey is MYMYDVKRUWCATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-20-12-15-24(26(20)28-18-21-8-4-2-5-9-21)19-27-25-16-13-23(14-17-25)22-10-6-3-7-11-22/h2-11,20,23-25H,12-19H2,1H3.
What are the key properties of 2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine?
2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine has a molecular weight of 379.54 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine is sourced from PubChem (CID 163392057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).