4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine

C16H24N2O — CID 117118281

IUPAC4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine
SMILESCc1ccc(CC2CCCN2)c(N2CCOCC2)c1
InChIInChI=1S/C16H24N2O/c1-13-4-5-14(12-15-3-2-6-17-15)16(11-13)18-7-9-19-10-8-18/h4-5,11,15,17H,2-3,6-10,12H2,1H3
InChIKeyCIAYYKYAELGWOY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.13
Rot. Bonds3

About 4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine

4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine (PubChem CID 117118281) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine
PubChem CID117118281
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine
SMILESCc1ccc(CC2CCCN2)c(N2CCOCC2)c1
InChIInChI=1S/C16H24N2O/c1-13-4-5-14(12-15-3-2-6-17-15)16(11-13)18-7-9-19-10-8-18/h4-5,11,15,17H,2-3,6-10,12H2,1H3
InChIKeyCIAYYKYAELGWOY-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine
CID 117118279
(4-methyl-2-morpholin-4-ylphenyl)methanamine
CID 62308441
N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine
CID 117111098
4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine
CID 117115698
1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
CID 117405725
2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine
CID 117366139
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine
CID 117348318
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
1-(2-ethyl-5-methylphenyl)pyrrolidine
CID 89060262
2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine
CID 84808304

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine?
The IUPAC name of 4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine (CID 117118281) is 4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine.
What is the SMILES notation for 4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine?
The canonical SMILES for 4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine is Cc1ccc(CC2CCCN2)c(N2CCOCC2)c1.
What is the InChIKey of 4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine?
The InChIKey is CIAYYKYAELGWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-4-5-14(12-15-3-2-6-17-15)16(11-13)18-7-9-19-10-8-18/h4-5,11,15,17H,2-3,6-10,12H2,1H3.
What are the key properties of 4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine?
4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine has a molecular weight of 260.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine is sourced from PubChem (CID 117118281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).