2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine

C17H25NO — CID 103161114

IUPAC2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine
SMILESCc1ccc(C2CNCC(CC3CCCC3)O2)cc1
InChIInChI=1S/C17H25NO/c1-13-6-8-15(9-7-13)17-12-18-11-16(19-17)10-14-4-2-3-5-14/h6-9,14,16-18H,2-5,10-12H2,1H3
InChIKeyPVVFSONDRGLQCP-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.60
Rot. Bonds3

About 2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine

2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine (PubChem CID 103161114) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine
PubChem CID103161114
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine
SMILESCc1ccc(C2CNCC(CC3CCCC3)O2)cc1
InChIInChI=1S/C17H25NO/c1-13-6-8-15(9-7-13)17-12-18-11-16(19-17)10-14-4-2-3-5-14/h6-9,14,16-18H,2-5,10-12H2,1H3
InChIKeyPVVFSONDRGLQCP-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine
CID 103161246
2-(cyclopentylmethyl)-6-[2-(methoxymethyl)phenyl]morpholine
CID 103161186
2-cyclopropyl-6-(4-methylphenyl)morpholine
CID 63297311
2-(4-cyclopropylphenyl)-6-ethylmorpholine
CID 79978379
2-(cyclopentylmethyl)-6-methylmorpholine
CID 103159107
2-(cyclopentylmethyl)-6-(2-phenylethyl)morpholine
CID 103161192
2-(cyclopentylmethyl)-6-cyclopropylmorpholine
CID 103159121
(2R,6S)-2-(iodomethyl)-6-(4-methylphenyl)oxane
CID 58035404
2-(4-ethylphenyl)-6-propylmorpholine
CID 113496205
2-(2,4-dimethylphenyl)-6-phenylmorpholine
CID 43438862
2-(cyclopentylmethyl)morpholine
CID 55278350
2,6-diphenylmorpholine
CID 43381979

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine?
The IUPAC name of 2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine (CID 103161114) is 2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine.
What is the SMILES notation for 2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine?
The canonical SMILES for 2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine is Cc1ccc(C2CNCC(CC3CCCC3)O2)cc1.
What is the InChIKey of 2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine?
The InChIKey is PVVFSONDRGLQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-6-8-15(9-7-13)17-12-18-11-16(19-17)10-14-4-2-3-5-14/h6-9,14,16-18H,2-5,10-12H2,1H3.
What are the key properties of 2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine?
2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine has a molecular weight of 259.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine is sourced from PubChem (CID 103161114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).