5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol

C16H25NO3 — CID 104583357

IUPAC5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol
SMILESCOc1ccc(C(C)NCC2(C)CCOCC2)c(O)c1
InChIInChI=1S/C16H25NO3/c1-12(14-5-4-13(19-3)10-15(14)18)17-11-16(2)6-8-20-9-7-16/h4-5,10,12,17-18H,6-9,11H2,1-3H3
InChIKeyRYNXPUYFTHIXDL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.87
Rot. Bonds5

About 5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol

5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol (PubChem CID 104583357) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol
PubChem CID104583357
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol
SMILESCOc1ccc(C(C)NCC2(C)CCOCC2)c(O)c1
InChIInChI=1S/C16H25NO3/c1-12(14-5-4-13(19-3)10-15(14)18)17-11-16(2)6-8-20-9-7-16/h4-5,10,12,17-18H,6-9,11H2,1-3H3
InChIKeyRYNXPUYFTHIXDL-UHFFFAOYSA-N
XLogP2.87
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol
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5-methoxy-2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenol
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4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol
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4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol
CID 81134000
4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
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5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol
CID 54931708
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 107093854
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol (CID 104583357) is 5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol is COc1ccc(C(C)NCC2(C)CCOCC2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol?
The InChIKey is RYNXPUYFTHIXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(14-5-4-13(19-3)10-15(14)18)17-11-16(2)6-8-20-9-7-16/h4-5,10,12,17-18H,6-9,11H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol?
5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol has a molecular weight of 279.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 104583357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).