5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol

C16H25NO3 — CID 82980691

IUPAC5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol
SMILESCOc1ccc(C(C)N(C)CC2CCCOC2)c(O)c1
InChIInChI=1S/C16H25NO3/c1-12(15-7-6-14(19-3)9-16(15)18)17(2)10-13-5-4-8-20-11-13/h6-7,9,12-13,18H,4-5,8,10-11H2,1-3H3
InChIKeySTIXDXRQHDGAPA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.82
Rot. Bonds5

About 5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol

5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol (PubChem CID 82980691) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol
PubChem CID82980691
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol
SMILESCOc1ccc(C(C)N(C)CC2CCCOC2)c(O)c1
InChIInChI=1S/C16H25NO3/c1-12(15-7-6-14(19-3)9-16(15)18)17(2)10-13-5-4-8-20-11-13/h6-7,9,12-13,18H,4-5,8,10-11H2,1-3H3
InChIKeySTIXDXRQHDGAPA-UHFFFAOYSA-N
XLogP2.82
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706198
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
CID 63712304
1-(3-methoxyphenyl)-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63726760
5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol
CID 54931708
4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate
CID 79091127
6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79372390
4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline
CID 63726580
5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 82979480
5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol
CID 63727270
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712788
N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 81296988

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol (CID 82980691) is 5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol is COc1ccc(C(C)N(C)CC2CCCOC2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol?
The InChIKey is STIXDXRQHDGAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(15-7-6-14(19-3)9-16(15)18)17(2)10-13-5-4-8-20-11-13/h6-7,9,12-13,18H,4-5,8,10-11H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol?
5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol has a molecular weight of 279.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol is sourced from PubChem (CID 82980691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).