3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol

C17H20N2O2 — CID 166467816

IUPAC3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol
SMILESCc1ccc(N2CCOCC2)cc1-c1cc(N)cc(O)c1
InChIInChI=1S/C17H20N2O2/c1-12-2-3-15(19-4-6-21-7-5-19)11-17(12)13-8-14(18)10-16(20)9-13/h2-3,8-11,20H,4-7,18H2,1H3
InChIKeyUPMZGXCBLXMNNZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.79
Rot. Bonds2

About 3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol

3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol (PubChem CID 166467816) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol.

Molecular Properties

Compound Name3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol
PubChem CID166467816
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol
SMILESCc1ccc(N2CCOCC2)cc1-c1cc(N)cc(O)c1
InChIInChI=1S/C17H20N2O2/c1-12-2-3-15(19-4-6-21-7-5-19)11-17(12)13-8-14(18)10-16(20)9-13/h2-3,8-11,20H,4-7,18H2,1H3
InChIKeyUPMZGXCBLXMNNZ-UHFFFAOYSA-N
XLogP2.79
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-morpholin-4-ylphenol
CID 155639936
4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline
CID 176803233
2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol
CID 137335517
3-(4-morpholin-4-ylphenyl)phenol
CID 46887508
5-morpholin-4-ylbenzene-1,3-diol
CID 58923367
2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline
CID 143641437
4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid
CID 70192799
2-(5-amino-1,2-oxazol-3-yl)-4-morpholin-4-ylphenol
CID 136963478
4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200886
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol?
The IUPAC name of 3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol (CID 166467816) is 3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol.
What is the SMILES notation for 3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol?
The canonical SMILES for 3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol is Cc1ccc(N2CCOCC2)cc1-c1cc(N)cc(O)c1.
What is the InChIKey of 3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol?
The InChIKey is UPMZGXCBLXMNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-2-3-15(19-4-6-21-7-5-19)11-17(12)13-8-14(18)10-16(20)9-13/h2-3,8-11,20H,4-7,18H2,1H3.
What are the key properties of 3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol?
3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol has a molecular weight of 284.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methyl-5-morpholin-4-ylphenyl)phenol is sourced from PubChem (CID 166467816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).