2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol

C20H25NO2 — CID 765913

IUPAC2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1ccc(O)c(CN2CCOCC2)c1
InChIInChI=1S/C20H25NO2/c1-20(2,17-6-4-3-5-7-17)18-8-9-19(22)16(14-18)15-21-10-12-23-13-11-21/h3-9,14,22H,10-13,15H2,1-2H3
InChIKeyXEJNMJLBMKSCBE-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.55
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol

2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol (PubChem CID 765913) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol
PubChem CID765913
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1ccc(O)c(CN2CCOCC2)c1
InChIInChI=1S/C20H25NO2/c1-20(2,17-6-4-3-5-7-17)18-8-9-19(22)16(14-18)15-21-10-12-23-13-11-21/h3-9,14,22H,10-13,15H2,1-2H3
InChIKeyXEJNMJLBMKSCBE-UHFFFAOYSA-N
XLogP3.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(Morpholinomethyl)2-naphthol
CID 33839
1-(1-Piperidinylmethyl)-2-naphthalenol
CID 21436
Bialamicol
CID 10304
1-Naphthalenol, 2-(4-morpholinylmethyl)-
CID 382950
Methylbenzethonium hydroxide
CID 168497
Biallylamicol dihydrochlorde
CID 23616896
2-(4-Morpholinylmethyl)phenol
CID 225458
4,4'-(1-Methylethylidene)bis(2,6-bis((dimethylamino)methyl)phenol
CID 167520
N-Benzyl albuterol
CID 91122
2-[({2-[2-ethyl-2-methyl-4-(4-methylphenyl)tetrahydro-2H-pyran-4-yl]ethyl}amino)methyl]phenol
CID 3706362
2-(1-Azepanylmethyl)-4-{1-[3-(1-azepanylmethyl)-4-hydroxyphenyl]-1-methylethyl}phenol
CID 44460434
4-[[Bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol
CID 612906

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol (CID 765913) is 2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol is CC(C)(c1ccccc1)c1ccc(O)c(CN2CCOCC2)c1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol?
The InChIKey is XEJNMJLBMKSCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-20(2,17-6-4-3-5-7-17)18-8-9-19(22)16(14-18)15-21-10-12-23-13-11-21/h3-9,14,22H,10-13,15H2,1-2H3.
What are the key properties of 2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol?
2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol has a molecular weight of 311.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 765913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).