4-[4-(1-phenylpentan-2-yl)phenyl]morpholine

C21H27NO — CID 174948400

IUPAC4-[4-(1-phenylpentan-2-yl)phenyl]morpholine
SMILESCCCC(Cc1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H27NO/c1-2-6-20(17-18-7-4-3-5-8-18)19-9-11-21(12-10-19)22-13-15-23-16-14-22/h3-5,7-12,20H,2,6,13-17H2,1H3
InChIKeyYFMYSYXVVUBKHJ-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.65
Rot. Bonds6

About 4-[4-(1-phenylpentan-2-yl)phenyl]morpholine

4-[4-(1-phenylpentan-2-yl)phenyl]morpholine (PubChem CID 174948400) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-[4-(1-phenylpentan-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(1-phenylpentan-2-yl)phenyl]morpholine
PubChem CID174948400
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name4-[4-(1-phenylpentan-2-yl)phenyl]morpholine
SMILESCCCC(Cc1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H27NO/c1-2-6-20(17-18-7-4-3-5-8-18)19-9-11-21(12-10-19)22-13-15-23-16-14-22/h3-5,7-12,20H,2,6,13-17H2,1H3
InChIKeyYFMYSYXVVUBKHJ-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal
CID 87659120
2-ethyl-3-(4-morpholin-4-ylphenyl)-1,4-diphenylbutan-1-one
CID 175266354
4-(4-benzylphenyl)morpholine
CID 11514364
2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one
CID 175073819
N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-2-amine
CID 69032943
1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 103693302
4-(4-ethylphenyl)morpholine
CID 20576442
5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine
CID 142202654
1-methyl-4-(4-octan-4-ylphenyl)piperazine
CID 146185845
4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide
CID 156775729
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
1-phenylundecan-2-ylbenzene
CID 22919994

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-phenylpentan-2-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(1-phenylpentan-2-yl)phenyl]morpholine (CID 174948400) is 4-[4-(1-phenylpentan-2-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(1-phenylpentan-2-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(1-phenylpentan-2-yl)phenyl]morpholine is CCCC(Cc1ccccc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(1-phenylpentan-2-yl)phenyl]morpholine?
The InChIKey is YFMYSYXVVUBKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-2-6-20(17-18-7-4-3-5-8-18)19-9-11-21(12-10-19)22-13-15-23-16-14-22/h3-5,7-12,20H,2,6,13-17H2,1H3.
What are the key properties of 4-[4-(1-phenylpentan-2-yl)phenyl]morpholine?
4-[4-(1-phenylpentan-2-yl)phenyl]morpholine has a molecular weight of 309.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-phenylpentan-2-yl)phenyl]morpholine is sourced from PubChem (CID 174948400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).