4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol

C17H21NO3 — CID 62379116

IUPAC4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol
SMILESCOc1ccc(O)c(CNCCCOc2ccccc2)c1
InChIInChI=1S/C17H21NO3/c1-20-16-8-9-17(19)14(12-16)13-18-10-5-11-21-15-6-3-2-4-7-15/h2-4,6-9,12,18-19H,5,10-11,13H2,1H3
InChIKeyTZUHMNSMBXACSP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.96
Rot. Bonds8

About 4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol

4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol (PubChem CID 62379116) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol
PubChem CID62379116
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol
SMILESCOc1ccc(O)c(CNCCCOc2ccccc2)c1
InChIInChI=1S/C17H21NO3/c1-20-16-8-9-17(19)14(12-16)13-18-10-5-11-21-15-6-3-2-4-7-15/h2-4,6-9,12,18-19H,5,10-11,13H2,1H3
InChIKeyTZUHMNSMBXACSP-UHFFFAOYSA-N
XLogP2.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[(3-phenoxypropylamino)methyl]phenol
CID 63325396
4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol
CID 43590666
4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28658335
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
CID 79353071
3-phenoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103792435
2-[(but-2-ynylamino)methyl]-4-methoxyphenol
CID 115908793
5-methoxy-2-[(4-methylpentylamino)methyl]phenol
CID 61263266
2-chloro-6-[(3-phenoxypropylamino)methyl]phenol
CID 115904573

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol?
The IUPAC name of 4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol (CID 62379116) is 4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol?
The canonical SMILES for 4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol is COc1ccc(O)c(CNCCCOc2ccccc2)c1.
What is the InChIKey of 4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol?
The InChIKey is TZUHMNSMBXACSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-16-8-9-17(19)14(12-16)13-18-10-5-11-21-15-6-3-2-4-7-15/h2-4,6-9,12,18-19H,5,10-11,13H2,1H3.
What are the key properties of 4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol?
4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol is sourced from PubChem (CID 62379116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).