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

C14H23NO3 — CID 82980149

IUPAC5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
SMILESCOCCCN(C)C(C)c1ccc(OC)cc1O
InChIInChI=1S/C14H23NO3/c1-11(15(2)8-5-9-17-3)13-7-6-12(18-4)10-14(13)16/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKeyRAGNNWNOOPZEHW-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.43
Rot. Bonds7

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

5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol (PubChem CID 82980149) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
PubChem CID82980149
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
SMILESCOCCCN(C)C(C)c1ccc(OC)cc1O
InChIInChI=1S/C14H23NO3/c1-11(15(2)8-5-9-17-3)13-7-6-12(18-4)10-14(13)16/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKeyRAGNNWNOOPZEHW-UHFFFAOYSA-N
XLogP2.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
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

5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
CID 82982095
4-bromo-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82979584
2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol
CID 115318691
5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol
CID 82976674
3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine
CID 51081765
2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol
CID 82957371
5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
CID 82978309
2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one
CID 151498938
5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
CID 82982580
5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82986264
5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol
CID 82980691
5-methoxy-2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenol
CID 104583453

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol (CID 82980149) is 5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol is COCCCN(C)C(C)c1ccc(OC)cc1O.
What is the InChIKey of 5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol?
The InChIKey is RAGNNWNOOPZEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(15(2)8-5-9-17-3)13-7-6-12(18-4)10-14(13)16/h6-7,10-11,16H,5,8-9H2,1-4H3.
What are the key properties of 5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol?
5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol has a molecular weight of 253.34 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol is sourced from PubChem (CID 82980149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).