2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine

C18H28N2O2 — CID 174964777

IUPAC2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine
SMILESCC(C)C(c1ccc(N2CCOCC2)cc1)C1CNCCO1
InChIInChI=1S/C18H28N2O2/c1-14(2)18(17-13-19-7-10-22-17)15-3-5-16(6-4-15)20-8-11-21-12-9-20/h3-6,14,17-19H,7-13H2,1-2H3
InChIKeyNUGWZKAPHRPFBJ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.25
Rot. Bonds4

About 2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine

2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine (PubChem CID 174964777) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine.

Molecular Properties

Compound Name2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine
PubChem CID174964777
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine
SMILESCC(C)C(c1ccc(N2CCOCC2)cc1)C1CNCCO1
InChIInChI=1S/C18H28N2O2/c1-14(2)18(17-13-19-7-10-22-17)15-3-5-16(6-4-15)20-8-11-21-12-9-20/h3-6,14,17-19H,7-13H2,1-2H3
InChIKeyNUGWZKAPHRPFBJ-UHFFFAOYSA-N
XLogP2.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 124563582
2-morpholin-2-yl-4-morpholin-4-ylphenol
CID 117415429
(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941068
methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840964
3-[hydroxy(morpholin-2-yl)methyl]phenol
CID 84676784
1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 103693302
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 99941257
1-[4-(1-fluoroethyl)phenyl]piperazine
CID 115025940
(R)-morpholin-2-yl(phenyl)methanol
CID 69108289
N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine
CID 177026152
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine
CID 116956461

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine?
The IUPAC name of 2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine (CID 174964777) is 2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine.
What is the SMILES notation for 2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine?
The canonical SMILES for 2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine is CC(C)C(c1ccc(N2CCOCC2)cc1)C1CNCCO1.
What is the InChIKey of 2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine?
The InChIKey is NUGWZKAPHRPFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)18(17-13-19-7-10-22-17)15-3-5-16(6-4-15)20-8-11-21-12-9-20/h3-6,14,17-19H,7-13H2,1-2H3.
What are the key properties of 2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine?
2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine has a molecular weight of 304.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine is sourced from PubChem (CID 174964777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).