4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol

C15H24N2O3 — CID 43675654

IUPAC4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol
SMILESCOc1ccc(O)c(CNC(C)CN2CCOCC2)c1
InChIInChI=1S/C15H24N2O3/c1-12(11-17-5-7-20-8-6-17)16-10-13-9-14(19-2)3-4-15(13)18/h3-4,9,12,16,18H,5-8,10-11H2,1-2H3
InChIKeyRDUPMSAWXOWDNH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.21
Rot. Bonds6

About 4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol

4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol (PubChem CID 43675654) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol
PubChem CID43675654
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol
SMILESCOc1ccc(O)c(CNC(C)CN2CCOCC2)c1
InChIInChI=1S/C15H24N2O3/c1-12(11-17-5-7-20-8-6-17)16-10-13-9-14(19-2)3-4-15(13)18/h3-4,9,12,16,18H,5-8,10-11H2,1-2H3
InChIKeyRDUPMSAWXOWDNH-UHFFFAOYSA-N
XLogP1.21
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol?
The IUPAC name of 4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol (CID 43675654) is 4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol?
The canonical SMILES for 4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol is COc1ccc(O)c(CNC(C)CN2CCOCC2)c1.
What is the InChIKey of 4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol?
The InChIKey is RDUPMSAWXOWDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(11-17-5-7-20-8-6-17)16-10-13-9-14(19-2)3-4-15(13)18/h3-4,9,12,16,18H,5-8,10-11H2,1-2H3.
What are the key properties of 4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol?
4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol has a molecular weight of 280.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol is sourced from PubChem (CID 43675654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).