4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine

C18H28N2O — CID 120902311

IUPAC4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine
SMILESCC1(CN2CCOC(CCc3ccccc3)C2)CCNC1
InChIInChI=1S/C18H28N2O/c1-18(9-10-19-14-18)15-20-11-12-21-17(13-20)8-7-16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3
InChIKeyJNRFOJWZNMLBEP-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.32
Rot. Bonds5

About 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine

4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine (PubChem CID 120902311) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine
PubChem CID120902311
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine
SMILESCC1(CN2CCOC(CCc3ccccc3)C2)CCNC1
InChIInChI=1S/C18H28N2O/c1-18(9-10-19-14-18)15-20-11-12-21-17(13-20)8-7-16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3
InChIKeyJNRFOJWZNMLBEP-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methylpyrrolidin-3-yl)methyl]-2-(phenoxymethyl)morpholine;hydrochloride
CID 120903409
4-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine;hydrochloride
CID 120900223
2-(cyclopropylmethoxymethyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
CID 120904715
2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
CID 120903950
(2R)-2-(2-phenylethyl)-4-(thiophen-2-ylmethyl)morpholine
CID 28767913
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 120905223
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine
CID 120903903
4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine
CID 56877602
2-ethyl-4-[(3-ethylpyrrolidin-3-yl)methyl]morpholine
CID 63142782
3-benzyl-3-methylpyrrolidine
CID 58254769

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine?
The IUPAC name of 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine (CID 120902311) is 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine.
What is the SMILES notation for 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine?
The canonical SMILES for 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine is CC1(CN2CCOC(CCc3ccccc3)C2)CCNC1.
What is the InChIKey of 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine?
The InChIKey is JNRFOJWZNMLBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(9-10-19-14-18)15-20-11-12-21-17(13-20)8-7-16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3.
What are the key properties of 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine?
4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine has a molecular weight of 288.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine is sourced from PubChem (CID 120902311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).